9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C39H25N5 — CID 130393336

IUPAC9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1ccc(-n2c(-c3ccc(-c4cccc(-c5nc6ccccc6c6nc7ccccn7c56)c4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C39H25N5/c1-2-13-30(14-3-1)44-34-18-7-6-17-33(34)41-39(44)27-22-20-26(21-23-27)28-11-10-12-29(25-28)36-38-37(31-15-4-5-16-32(31)40-36)42-35-19-8-9-24-43(35)38/h1-25H
InChIKeyHVDMGKXKAKNCLP-UHFFFAOYSA-N
MW563.66 g/mol
LogP9.38
Rot. Bonds4

About 9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 130393336) has the molecular formula C39H25N5 and a molecular weight of 563.66 g/mol. Its IUPAC name is 9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

Compound Name9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
PubChem CID130393336
Molecular FormulaC39H25N5
Molecular Weight563.66 g/mol
Exact Mass563.21
IUPAC Name9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1ccc(-n2c(-c3ccc(-c4cccc(-c5nc6ccccc6c6nc7ccccn7c56)c4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C39H25N5/c1-2-13-30(14-3-1)44-34-18-7-6-17-33(34)41-39(44)27-22-20-26(21-23-27)28-11-10-12-29(25-28)36-38-37(31-15-4-5-16-32(31)40-36)42-35-19-8-9-24-43(35)38/h1-25H
InChIKeyHVDMGKXKAKNCLP-UHFFFAOYSA-N
XLogP9.38
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene with MolForge

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Related Compounds

1-phenyl-2-[4-[3-phenyl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
CID 155306860
2-phenyl-1-[3-[3-phenyl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
CID 164781227
1-phenyl-2-[3-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
CID 164781287
8-[4-[3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393534
9-[3-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393635
9-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130392828
1,2-diphenyl-6-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole
CID 155307576
9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-(3-diphenylphosphorylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(3-diphenylphosphorylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 161489645
2-[3-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 164781173
2-phenyl-1-[4-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]benzimidazole
CID 155306933
9-(3-dibenzoselenophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-(4-dibenzoselenophen-2-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[3-[3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;9-[4-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 162226023
9-[3-[4,6-diphenyl-2-(4-phenylphenyl)pyrimidin-5-yl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393315

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The IUPAC name of 9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 130393336) is 9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.
What is the SMILES notation for 9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The canonical SMILES for 9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1ccc(-n2c(-c3ccc(-c4cccc(-c5nc6ccccc6c6nc7ccccn7c56)c4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The InChIKey is HVDMGKXKAKNCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N5/c1-2-13-30(14-3-1)44-34-18-7-6-17-33(34)41-39(44)27-22-20-26(21-23-27)28-11-10-12-29(25-28)36-38-37(31-15-4-5-16-32(31)40-36)42-35-19-8-9-24-43(35)38/h1-25H.
What are the key properties of 9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 563.66 g/mol, XLogP of 9.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 130393336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).