5,7,8-triphenyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene

C35H21N3 — CID 13077773

IUPAC5,7,8-triphenyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3nc4c(nc3c2-c2ccccc2)-c2cccc3cccc-4c23)cc1
InChIInChI=1S/C35H21N3/c1-4-12-23(13-5-1)29-30(24-14-6-2-7-15-24)36-31(25-16-8-3-9-17-25)35-34(29)37-32-26-20-10-18-22-19-11-21-27(28(22)26)33(32)38-35/h1-21H
InChIKeyQVTLYVPKJIQIKB-UHFFFAOYSA-N
MW483.57 g/mol
LogP8.83
Rot. Bonds3

About 5,7,8-triphenyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene

5,7,8-triphenyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene (PubChem CID 13077773) has the molecular formula C35H21N3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 5,7,8-triphenyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene.

Molecular Properties

Compound Name5,7,8-triphenyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene
PubChem CID13077773
Molecular FormulaC35H21N3
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Name5,7,8-triphenyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3nc4c(nc3c2-c2ccccc2)-c2cccc3cccc-4c23)cc1
InChIInChI=1S/C35H21N3/c1-4-12-23(13-5-1)29-30(24-14-6-2-7-15-24)36-31(25-16-8-3-9-17-25)35-34(29)37-32-26-20-10-18-22-19-11-21-27(28(22)26)33(32)38-35/h1-21H
InChIKeyQVTLYVPKJIQIKB-UHFFFAOYSA-N
XLogP8.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,7,8-triphenyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

13-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122524491
13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122524454
4-(11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-13-yl)-N,N-dimethylaniline
CID 122524469
11,14-diphenyl-13-pyridin-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122524523
8,11-bis[4-(N-phenylanilino)phenyl]-9-thionitrosoacenaphthyleno[1,2-b]quinoxalin-10-amine
CID 90278080
2,4-diphenyl-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 102532372
N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-14-yl]aniline
CID 122466274
13-dibenzothiophen-2-yl-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122524500
CID 159108391
CID 159108391
methane;3,9,12,18-tetrazaheptacyclo[18.7.1.02,19.04,17.05,10.011,16.024,28]octacosa-1(27),2,4(17),5(10),6,8,11(16),12,14,18,20,22,24(28),25-tetradecaene
CID 157448357
14-[4-(10-anthracen-1-ylanthracen-9-yl)phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122466510
3,7,19,23-tetrazanonacyclo[23.7.1.19,13.02,24.04,22.06,20.08,18.029,33.017,34]tetratriaconta-1(32),2,4,6(20),7,9,11,13(34),14,16,18,21,23,25,27,29(33),30-heptadecaene
CID 58122097

Frequently Asked Questions

What is the IUPAC name of 5,7,8-triphenyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene?
The IUPAC name of 5,7,8-triphenyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene (CID 13077773) is 5,7,8-triphenyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene.
What is the SMILES notation for 5,7,8-triphenyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene?
The canonical SMILES for 5,7,8-triphenyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene is c1ccc(-c2nc(-c3ccccc3)c3nc4c(nc3c2-c2ccccc2)-c2cccc3cccc-4c23)cc1.
What is the InChIKey of 5,7,8-triphenyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene?
The InChIKey is QVTLYVPKJIQIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3/c1-4-12-23(13-5-1)29-30(24-14-6-2-7-15-24)36-31(25-16-8-3-9-17-25)35-34(29)37-32-26-20-10-18-22-19-11-21-27(28(22)26)33(32)38-35/h1-21H.
What are the key properties of 5,7,8-triphenyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene?
5,7,8-triphenyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene has a molecular weight of 483.57 g/mol, XLogP of 8.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-triphenyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene is sourced from PubChem (CID 13077773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).