C1=CC=C2C(=C1)C3=CC=CC=C3NC4=CC=CC=C24
CAS: 29875-73-8
Name: 14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3NC4=CC=CC=C24

Molecular Processing

Molecular formula
C18H13N
Molecular weight
243.31
Exact mass
243.1048
XLogP
5.08
TPSA
12.03
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
19
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0
Molar refractivity
80.6

Supplementary Information

InChIKey: IMXOMGSWKLUAPZ-UHFFFAOYSA-N
Synonyme
9H-Tribenzo[b,d,f]azepine29875-73-8MFCD281004839H-Tribenz[b,d,f]azepine14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene9H-tribenz[b,d,f]azepintribenzo[b,d,f]azepineSCHEMBL181764SCHEMBL19875648SCHEMBL30462618IMXOMGSWKLUAPZ-UHFFFAOYSA-NBS-48944SY274100DB-156864F71960F865143doi:10.14272/IMXOMGSWKLUAPZ-UHFFFAOYSA-N.1
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