2-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol

C51H37N3O — CID 162783231

IUPAC2-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4ccccc4)cc(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccccc4-c4ccccc4)c3)ncc21
InChIInChI=1S/C51H37N3O/c1-51(2)43-24-12-9-21-40(43)42-31-45(52-32-44(42)51)37-29-35(33-16-5-3-6-17-33)28-36(30-37)39-23-15-26-47-49(39)53-50(41-22-11-14-27-48(41)55)54(47)46-25-13-10-20-38(46)34-18-7-4-8-19-34/h3-32,55H,1-2H3
InChIKeyLKMWTQFHLMELCT-UHFFFAOYSA-N
MW707.88 g/mol
LogP12.77
Rot. Bonds6

About 2-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol

2-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol (PubChem CID 162783231) has the molecular formula C51H37N3O and a molecular weight of 707.88 g/mol. Its IUPAC name is 2-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
PubChem CID162783231
Molecular FormulaC51H37N3O
Molecular Weight707.88 g/mol
Exact Mass707.29
IUPAC Name2-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4ccccc4)cc(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccccc4-c4ccccc4)c3)ncc21
InChIInChI=1S/C51H37N3O/c1-51(2)43-24-12-9-21-40(43)42-31-45(52-32-44(42)51)37-29-35(33-16-5-3-6-17-33)28-36(30-37)39-23-15-26-47-49(39)53-50(41-22-11-14-27-48(41)55)54(47)46-25-13-10-20-38(46)34-18-7-4-8-19-34/h3-32,55H,1-2H3
InChIKeyLKMWTQFHLMELCT-UHFFFAOYSA-N
XLogP12.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.88
LogP ≤ 512.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[9,9-dimethyl-1-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]fluoren-3-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
CID 162784159
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(9,9-dimethyl-7-phenylindeno[2,1-c]pyridin-3-yl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 162783692
9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol
CID 162783267
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 162782949
2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 162783518
2-[4-[9,9-dimethyl-3-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]fluoren-1-yl]-1-[2-phenyl-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol
CID 162783225
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)phenyl]benzimidazol-2-yl]phenol
CID 162784287
2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)fluoren-3-yl]-1-[2-phenyl-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol
CID 162783271
2,4-ditert-butyl-6-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 162783445
6-methyl-4-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol
CID 140864229
2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol
CID 162784129
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)phenyl]benzimidazol-2-yl]phenol
CID 162783065

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol?
The IUPAC name of 2-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol (CID 162783231) is 2-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol?
The canonical SMILES for 2-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol is CC1(C)c2ccccc2-c2cc(-c3cc(-c4ccccc4)cc(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccccc4-c4ccccc4)c3)ncc21.
What is the InChIKey of 2-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol?
The InChIKey is LKMWTQFHLMELCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N3O/c1-51(2)43-24-12-9-21-40(43)42-31-45(52-32-44(42)51)37-29-35(33-16-5-3-6-17-33)28-36(30-37)39-23-15-26-47-49(39)53-50(41-22-11-14-27-48(41)55)54(47)46-25-13-10-20-38(46)34-18-7-4-8-19-34/h3-32,55H,1-2H3.
What are the key properties of 2-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol?
2-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol has a molecular weight of 707.88 g/mol, XLogP of 12.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 162783231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).