9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole

C49H31N3 — CID 169294130

IUPAC9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
SMILESc1ccc(-n2c(-c3ccc4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ccccc5c4c3)nc3ccccc32)cc1
InChIInChI=1S/C49H31N3/c1-3-13-35(14-4-1)51-46-21-11-9-19-41(46)44-30-33(25-28-47(44)51)32-23-26-39-40-27-24-34(31-43(40)38-18-8-7-17-37(38)42(39)29-32)49-50-45-20-10-12-22-48(45)52(49)36-15-5-2-6-16-36/h1-31H
InChIKeyXXIZYMGFHGBLPU-UHFFFAOYSA-N
MW661.81 g/mol
LogP12.92
Rot. Bonds4

About 9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole

9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole (PubChem CID 169294130) has the molecular formula C49H31N3 and a molecular weight of 661.81 g/mol. Its IUPAC name is 9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
PubChem CID169294130
Molecular FormulaC49H31N3
Molecular Weight661.81 g/mol
Exact Mass661.25
IUPAC Name9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
SMILESc1ccc(-n2c(-c3ccc4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ccccc5c4c3)nc3ccccc32)cc1
InChIInChI=1S/C49H31N3/c1-3-13-35(14-4-1)51-46-21-11-9-19-41(46)44-30-33(25-28-47(44)51)32-23-26-39-40-27-24-34(31-43(40)38-18-8-7-17-37(38)42(39)29-32)49-50-45-20-10-12-22-48(45)52(49)36-15-5-2-6-16-36/h1-31H
InChIKeyXXIZYMGFHGBLPU-UHFFFAOYSA-N
XLogP12.92
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.81
LogP ≤ 512.92
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-[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-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
5-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-1,2-diphenylbenzimidazole
CID 130269142
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58963335
2-carbazol-9-yl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 144777561
5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole?
The IUPAC name of 9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole (CID 169294130) is 9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole is c1ccc(-n2c(-c3ccc4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5ccccc5c4c3)nc3ccccc32)cc1.
What is the InChIKey of 9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole?
The InChIKey is XXIZYMGFHGBLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3/c1-3-13-35(14-4-1)51-46-21-11-9-19-41(46)44-30-33(25-28-47(44)51)32-23-26-39-40-27-24-34(31-43(40)38-18-8-7-17-37(38)42(39)29-32)49-50-45-20-10-12-22-48(45)52(49)36-15-5-2-6-16-36/h1-31H.
What are the key properties of 9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole?
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole has a molecular weight of 661.81 g/mol, XLogP of 12.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole is sourced from PubChem (CID 169294130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).