9-[2-(4,6-diphenyl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

C48H32N4 — CID 163531483

IUPAC9-[2-(4,6-diphenyl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4nc5ccccc5n4-c4ccccc4)ccc3-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C48H32N4/c1-4-16-33(17-5-1)36-31-42(34-18-6-2-7-19-34)49-43(32-36)40-30-35(48-50-41-24-12-15-27-47(41)51(48)37-20-8-3-9-21-37)28-29-46(40)52-44-25-13-10-22-38(44)39-23-11-14-26-45(39)52/h1-32H
InChIKeyDTJIYBLXUBWPCS-UHFFFAOYSA-N
MW664.81 g/mol
LogP12.19
Rot. Bonds6

About 9-[2-(4,6-diphenyl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

9-[2-(4,6-diphenyl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (PubChem CID 163531483) has the molecular formula C48H32N4 and a molecular weight of 664.81 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
PubChem CID163531483
Molecular FormulaC48H32N4
Molecular Weight664.81 g/mol
Exact Mass664.26
IUPAC Name9-[2-(4,6-diphenyl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4nc5ccccc5n4-c4ccccc4)ccc3-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C48H32N4/c1-4-16-33(17-5-1)36-31-42(34-18-6-2-7-19-34)49-43(32-36)40-30-35(48-50-41-24-12-15-27-47(41)51(48)37-20-8-3-9-21-37)28-29-46(40)52-44-25-13-10-22-38(44)39-23-11-14-26-45(39)52/h1-32H
InChIKeyDTJIYBLXUBWPCS-UHFFFAOYSA-N
XLogP12.19
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
4-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 70958726
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]carbazole
CID 148971314
9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 58500911
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692
9-[3-[2,4-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500891
2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole
CID 175392622
9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118448479
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
2,6-diphenyl-4-[4-(2-phenylbenzimidazol-1-yl)phenyl]benzo[h]quinoline
CID 70958763
2-carbazol-9-yl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 144777561

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The IUPAC name of 9-[2-(4,6-diphenyl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (CID 163531483) is 9-[2-(4,6-diphenyl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[2-(4,6-diphenyl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[2-(4,6-diphenyl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4nc5ccccc5n4-c4ccccc4)ccc3-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-[2-(4,6-diphenyl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The InChIKey is DTJIYBLXUBWPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4/c1-4-16-33(17-5-1)36-31-42(34-18-6-2-7-19-34)49-43(32-36)40-30-35(48-50-41-24-12-15-27-47(41)51(48)37-20-8-3-9-21-37)28-29-46(40)52-44-25-13-10-22-38(44)39-23-11-14-26-45(39)52/h1-32H.
What are the key properties of 9-[2-(4,6-diphenyl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
9-[2-(4,6-diphenyl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole has a molecular weight of 664.81 g/mol, XLogP of 12.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenyl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is sourced from PubChem (CID 163531483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).