2-[4-[3-[4-[2-ethenyl-3-methyl-1-(3-phenylphenyl)indol-7-yl]-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol

C48H36N4O — CID 177093696

IUPAC2-[4-[3-[4-[2-ethenyl-3-methyl-1-(3-phenylphenyl)indol-7-yl]-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol
SMILESC=Cc1c(C)c2cccc(-c3ccnc(-c4cccc(-c5cccc6c5nc(-c5ccccc5O)n6C)c4)c3)c2n1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C48H36N4O/c1-4-43-31(2)38-21-12-23-40(47(38)52(43)37-19-11-16-33(29-37)32-14-6-5-7-15-32)35-26-27-49-42(30-35)36-18-10-17-34(28-36)39-22-13-24-44-46(39)50-48(51(44)3)41-20-8-9-25-45(41)53/h4-30,53H,1H2,2-3H3
InChIKeyFXGSHXHNHZSDHL-UHFFFAOYSA-N
MW684.84 g/mol
LogP11.90
Rot. Bonds7

About 2-[4-[3-[4-[2-ethenyl-3-methyl-1-(3-phenylphenyl)indol-7-yl]-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol

2-[4-[3-[4-[2-ethenyl-3-methyl-1-(3-phenylphenyl)indol-7-yl]-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol (PubChem CID 177093696) has the molecular formula C48H36N4O and a molecular weight of 684.84 g/mol. Its IUPAC name is 2-[4-[3-[4-[2-ethenyl-3-methyl-1-(3-phenylphenyl)indol-7-yl]-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-[4-[2-ethenyl-3-methyl-1-(3-phenylphenyl)indol-7-yl]-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol
PubChem CID177093696
Molecular FormulaC48H36N4O
Molecular Weight684.84 g/mol
Exact Mass684.29
IUPAC Name2-[4-[3-[4-[2-ethenyl-3-methyl-1-(3-phenylphenyl)indol-7-yl]-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol
SMILESC=Cc1c(C)c2cccc(-c3ccnc(-c4cccc(-c5cccc6c5nc(-c5ccccc5O)n6C)c4)c3)c2n1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C48H36N4O/c1-4-43-31(2)38-21-12-23-40(47(38)52(43)37-19-11-16-33(29-37)32-14-6-5-7-15-32)35-26-27-49-42(30-35)36-18-10-17-34(28-36)39-22-13-24-44-46(39)50-48(51(44)3)41-20-8-9-25-45(41)53/h4-30,53H,1H2,2-3H3
InChIKeyFXGSHXHNHZSDHL-UHFFFAOYSA-N
XLogP11.90
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.84
LogP ≤ 511.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-methyl-4-[3-[4-[9-(3-phenylphenyl)carbazol-1-yl]-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 177093762
3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-4-ol
CID 140864433
2-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864141
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-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864857
2-[3-methyl-7-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol
CID 140864553
2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol
CID 162783149
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-phenyl-2-pyridinyl)phenyl]-1-(3,4-dimethyl-5-phenylphenyl)benzimidazol-2-yl]phenol
CID 163682700
2-[4-[3-tert-butyl-5-[4-(2-ethenyl-1-phenylindol-7-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]-5-(2,6-ditert-butylnaphthalen-1-yl)phenol
CID 177094200
2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol
CID 162784129

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-[2-ethenyl-3-methyl-1-(3-phenylphenyl)indol-7-yl]-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol?
The IUPAC name of 2-[4-[3-[4-[2-ethenyl-3-methyl-1-(3-phenylphenyl)indol-7-yl]-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol (CID 177093696) is 2-[4-[3-[4-[2-ethenyl-3-methyl-1-(3-phenylphenyl)indol-7-yl]-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[4-[3-[4-[2-ethenyl-3-methyl-1-(3-phenylphenyl)indol-7-yl]-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol?
The canonical SMILES for 2-[4-[3-[4-[2-ethenyl-3-methyl-1-(3-phenylphenyl)indol-7-yl]-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol is C=Cc1c(C)c2cccc(-c3ccnc(-c4cccc(-c5cccc6c5nc(-c5ccccc5O)n6C)c4)c3)c2n1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-[4-[3-[4-[2-ethenyl-3-methyl-1-(3-phenylphenyl)indol-7-yl]-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol?
The InChIKey is FXGSHXHNHZSDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N4O/c1-4-43-31(2)38-21-12-23-40(47(38)52(43)37-19-11-16-33(29-37)32-14-6-5-7-15-32)35-26-27-49-42(30-35)36-18-10-17-34(28-36)39-22-13-24-44-46(39)50-48(51(44)3)41-20-8-9-25-45(41)53/h4-30,53H,1H2,2-3H3.
What are the key properties of 2-[4-[3-[4-[2-ethenyl-3-methyl-1-(3-phenylphenyl)indol-7-yl]-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol?
2-[4-[3-[4-[2-ethenyl-3-methyl-1-(3-phenylphenyl)indol-7-yl]-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol has a molecular weight of 684.84 g/mol, XLogP of 11.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-[2-ethenyl-3-methyl-1-(3-phenylphenyl)indol-7-yl]-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol is sourced from PubChem (CID 177093696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).