9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole

C48H34N4O — CID 166007105

IUPAC9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole
SMILESc1ccc(-c2cccc(-c3ccccc3)c2N2CN(c3cccc(Oc4ccnc(-n5c6ccccc6c6ccccc65)c4)c3)c3ccccc32)cc1
InChIInChI=1S/C48H34N4O/c1-3-15-34(16-4-1)39-23-14-24-40(35-17-5-2-6-18-35)48(39)51-33-50(45-27-11-12-28-46(45)51)36-19-13-20-37(31-36)53-38-29-30-49-47(32-38)52-43-25-9-7-21-41(43)42-22-8-10-26-44(42)52/h1-32H,33H2
InChIKeyIZSIRQXGVYWCDQ-UHFFFAOYSA-N
MW682.83 g/mol
LogP12.55
Rot. Bonds7

About 9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole

9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole (PubChem CID 166007105) has the molecular formula C48H34N4O and a molecular weight of 682.83 g/mol. Its IUPAC name is 9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole.

Molecular Properties

Compound Name9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole
PubChem CID166007105
Molecular FormulaC48H34N4O
Molecular Weight682.83 g/mol
Exact Mass682.27
IUPAC Name9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole
SMILESc1ccc(-c2cccc(-c3ccccc3)c2N2CN(c3cccc(Oc4ccnc(-n5c6ccccc6c6ccccc65)c4)c3)c3ccccc32)cc1
InChIInChI=1S/C48H34N4O/c1-3-15-34(16-4-1)39-23-14-24-40(35-17-5-2-6-18-35)48(39)51-33-50(45-27-11-12-28-46(45)51)36-19-13-20-37(31-36)53-38-29-30-49-47(32-38)52-43-25-9-7-21-41(43)42-22-8-10-26-44(42)52/h1-32H,33H2
InChIKeyIZSIRQXGVYWCDQ-UHFFFAOYSA-N
XLogP12.55
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.83
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 170671606
2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-[2-[3,5-di(propan-2-yl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]carbazole
CID 170671555
2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
CID 167401547
3-[3-[3-[2,6-bis(2-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-7-phenylindolo[2,3-b]carbazole
CID 170677073
2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2,2,6,6-tetramethyl-1-phenylcyclohexyl)-2-pyridinyl]carbazole
CID 162704513
9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 169288868
2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole
CID 163748784
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenoxy]-2-pyridinyl]carbazole
CID 170671587
9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 167401517
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenoxy]-2-pyridinyl]carbazole
CID 170671651
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-[4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177083061
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-1-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 169065936

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole?
The IUPAC name of 9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole (CID 166007105) is 9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole.
What is the SMILES notation for 9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole?
The canonical SMILES for 9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole is c1ccc(-c2cccc(-c3ccccc3)c2N2CN(c3cccc(Oc4ccnc(-n5c6ccccc6c6ccccc65)c4)c3)c3ccccc32)cc1.
What is the InChIKey of 9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole?
The InChIKey is IZSIRQXGVYWCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4O/c1-3-15-34(16-4-1)39-23-14-24-40(35-17-5-2-6-18-35)48(39)51-33-50(45-27-11-12-28-46(45)51)36-19-13-20-37(31-36)53-38-29-30-49-47(32-38)52-43-25-9-7-21-41(43)42-22-8-10-26-44(42)52/h1-32H,33H2.
What are the key properties of 9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole?
9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole has a molecular weight of 682.83 g/mol, XLogP of 12.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole is sourced from PubChem (CID 166007105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).