2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol

C54H36N4O — CID 162783149

IUPAC2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol
SMILESOc1ccccc1-c1nc2c(-c3cc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)cc4c3c3ccccc3n4-c3ccccc3)cccc2n1-c1ccccc1
InChIInChI=1S/C54H36N4O/c59-51-26-13-11-22-45(51)54-56-53-43(23-14-25-49(53)58(54)42-19-8-3-9-20-42)46-33-40(35-50-52(46)44-21-10-12-24-48(44)57(50)41-17-6-2-7-18-41)47-34-39(31-32-55-47)38-29-27-37(28-30-38)36-15-4-1-5-16-36/h1-35,59H
InChIKeySHOWSSZWMMBEMM-UHFFFAOYSA-N
MW756.91 g/mol
LogP13.56
Rot. Bonds7

About 2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol

2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol (PubChem CID 162783149) has the molecular formula C54H36N4O and a molecular weight of 756.91 g/mol. Its IUPAC name is 2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol
PubChem CID162783149
Molecular FormulaC54H36N4O
Molecular Weight756.91 g/mol
Exact Mass756.29
IUPAC Name2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol
SMILESOc1ccccc1-c1nc2c(-c3cc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)cc4c3c3ccccc3n4-c3ccccc3)cccc2n1-c1ccccc1
InChIInChI=1S/C54H36N4O/c59-51-26-13-11-22-45(51)54-56-53-43(23-14-25-49(53)58(54)42-19-8-3-9-20-42)46-33-40(35-50-52(46)44-21-10-12-24-48(44)57(50)41-17-6-2-7-18-41)47-34-39(31-32-55-47)38-29-27-37(28-30-38)36-15-4-1-5-16-36/h1-35,59H
InChIKeySHOWSSZWMMBEMM-UHFFFAOYSA-N
XLogP13.56
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.91
LogP ≤ 513.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[9,9-dimethyl-2-[4-(4-phenylphenyl)-2-pyridinyl]fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol
CID 162783135
2-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864857
2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol
CID 162784129
2-[4-[3-tert-butyl-5-[4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093805
2-[3-phenyl-7-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864017
2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140864165
2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164742712
2-[4-[3-tert-butyl-5-[4-[9-[4-(N-phenylanilino)phenyl]carbazol-2-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093990
2-[4-[3-[4-[9-[3,5-bis(4-tert-butylphenyl)phenyl]carbazol-2-yl]-2-pyridinyl]-5-tert-butylphenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093914
2-[4-[3-(5,6-dideuterio-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 171424927
2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 121306286
5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 171424937

Frequently Asked Questions

What is the IUPAC name of 2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol?
The IUPAC name of 2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol (CID 162783149) is 2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol?
The canonical SMILES for 2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol is Oc1ccccc1-c1nc2c(-c3cc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)cc4c3c3ccccc3n4-c3ccccc3)cccc2n1-c1ccccc1.
What is the InChIKey of 2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol?
The InChIKey is SHOWSSZWMMBEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4O/c59-51-26-13-11-22-45(51)54-56-53-43(23-14-25-49(53)58(54)42-19-8-3-9-20-42)46-33-40(35-50-52(46)44-21-10-12-24-48(44)57(50)41-17-6-2-7-18-41)47-34-39(31-32-55-47)38-29-27-37(28-30-38)36-15-4-1-5-16-36/h1-35,59H.
What are the key properties of 2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol?
2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol has a molecular weight of 756.91 g/mol, XLogP of 13.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 162783149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).