9-[3-phenanthren-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-phenylcarbazole

C51H33N3 — CID 139500378

IUPAC9-[3-phenanthren-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cc6ccccc6c6ccccc56)cc(-c5nc6ccccc6n5-c5ccccc5)c4)c3c2)cc1
InChIInChI=1S/C51H33N3/c1-3-15-34(16-4-1)35-27-28-45-44-23-11-13-25-48(44)53(50(45)33-35)40-30-37(46-32-36-17-7-8-20-41(36)42-21-9-10-22-43(42)46)29-38(31-40)51-52-47-24-12-14-26-49(47)54(51)39-18-5-2-6-19-39/h1-33H
InChIKeyGSMPBDWGBLVKOB-UHFFFAOYSA-N
MW687.85 g/mol
LogP13.43
Rot. Bonds5

About 9-[3-phenanthren-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-phenylcarbazole

9-[3-phenanthren-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-phenylcarbazole (PubChem CID 139500378) has the molecular formula C51H33N3 and a molecular weight of 687.85 g/mol. Its IUPAC name is 9-[3-phenanthren-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[3-phenanthren-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-phenylcarbazole
PubChem CID139500378
Molecular FormulaC51H33N3
Molecular Weight687.85 g/mol
Exact Mass687.27
IUPAC Name9-[3-phenanthren-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cc6ccccc6c6ccccc56)cc(-c5nc6ccccc6n5-c5ccccc5)c4)c3c2)cc1
InChIInChI=1S/C51H33N3/c1-3-15-34(16-4-1)35-27-28-45-44-23-11-13-25-48(44)53(50(45)33-35)40-30-37(46-32-36-17-7-8-20-41(36)42-21-9-10-22-43(42)46)29-38(31-40)51-52-47-24-12-14-26-49(47)54(51)39-18-5-2-6-19-39/h1-33H
InChIKeyGSMPBDWGBLVKOB-UHFFFAOYSA-N
XLogP13.43
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.85
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
3-[3-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 126493490
3-[6-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-4-phenyl-2-pyridinyl]-9-phenylcarbazole
CID 139500873
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
9-[3-phenanthren-9-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-2-phenylcarbazole
CID 139500561
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
CID 169294130
9-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole
CID 139500861
9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole;9-[3-(4-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159689143
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
2-[4-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]phenyl]-1-phenylbenzimidazole
CID 167412067
9-[3-carbazol-9-yl-5-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[4-[3-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 159243159

Frequently Asked Questions

What is the IUPAC name of 9-[3-phenanthren-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-phenylcarbazole?
The IUPAC name of 9-[3-phenanthren-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-phenylcarbazole (CID 139500378) is 9-[3-phenanthren-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-phenylcarbazole.
What is the SMILES notation for 9-[3-phenanthren-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-phenylcarbazole?
The canonical SMILES for 9-[3-phenanthren-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cc6ccccc6c6ccccc56)cc(-c5nc6ccccc6n5-c5ccccc5)c4)c3c2)cc1.
What is the InChIKey of 9-[3-phenanthren-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-phenylcarbazole?
The InChIKey is GSMPBDWGBLVKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3/c1-3-15-34(16-4-1)35-27-28-45-44-23-11-13-25-48(44)53(50(45)33-35)40-30-37(46-32-36-17-7-8-20-41(36)42-21-9-10-22-43(42)46)29-38(31-40)51-52-47-24-12-14-26-49(47)54(51)39-18-5-2-6-19-39/h1-33H.
What are the key properties of 9-[3-phenanthren-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-phenylcarbazole?
9-[3-phenanthren-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-phenylcarbazole has a molecular weight of 687.85 g/mol, XLogP of 13.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-phenanthren-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-phenylcarbazole is sourced from PubChem (CID 139500378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).