10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine

C45H31N5 — CID 134165975

IUPAC10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine
SMILESc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(N4c5ccccc5Cc5ccccc54)c3)nc3ccccc32)cc1
InChIInChI=1S/C45H31N5/c1-3-17-35(18-4-1)49-42-25-13-9-21-38(42)46-44(49)33-28-34(45-47-39-22-10-14-26-43(39)50(45)36-19-5-2-6-20-36)30-37(29-33)48-40-23-11-7-15-31(40)27-32-16-8-12-24-41(32)48/h1-26,28-30H,27H2
InChIKeyFOSIQVWRNKVQSN-UHFFFAOYSA-N
MW641.78 g/mol
LogP11.07
Rot. Bonds5

About 10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine

10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine (PubChem CID 134165975) has the molecular formula C45H31N5 and a molecular weight of 641.78 g/mol. Its IUPAC name is 10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine.

Molecular Properties

Compound Name10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine
PubChem CID134165975
Molecular FormulaC45H31N5
Molecular Weight641.78 g/mol
Exact Mass641.26
IUPAC Name10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine
SMILESc1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(N4c5ccccc5Cc5ccccc54)c3)nc3ccccc32)cc1
InChIInChI=1S/C45H31N5/c1-3-17-35(18-4-1)49-42-25-13-9-21-38(42)46-44(49)33-28-34(45-47-39-22-10-14-26-43(39)50(45)36-19-5-2-6-20-36)30-37(29-33)48-40-23-11-7-15-31(40)27-32-16-8-12-24-41(32)48/h1-26,28-30H,27H2
InChIKeyFOSIQVWRNKVQSN-UHFFFAOYSA-N
XLogP11.07
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.78
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-9H-acridine
CID 134165982
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
1-phenyl-2-[3-[7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-dihydrophenanthren-2-yl]phenyl]benzimidazole
CID 90075826
2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole
CID 23399455
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
15-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122493132
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
CID 155179256
1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole
CID 70920417
9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 58500865

Frequently Asked Questions

What is the IUPAC name of 10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine?
The IUPAC name of 10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine (CID 134165975) is 10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine.
What is the SMILES notation for 10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine?
The canonical SMILES for 10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine is c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(N4c5ccccc5Cc5ccccc54)c3)nc3ccccc32)cc1.
What is the InChIKey of 10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine?
The InChIKey is FOSIQVWRNKVQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N5/c1-3-17-35(18-4-1)49-42-25-13-9-21-38(42)46-44(49)33-28-34(45-47-39-22-10-14-26-43(39)50(45)36-19-5-2-6-20-36)30-37(29-33)48-40-23-11-7-15-31(40)27-32-16-8-12-24-41(32)48/h1-26,28-30H,27H2.
What are the key properties of 10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine?
10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine has a molecular weight of 641.78 g/mol, XLogP of 11.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9H-acridine is sourced from PubChem (CID 134165975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).