2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol

C45H33N3O — CID 162784129

IUPAC2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)cc(-c3cc(-c4ccccc4)ccn3)cc21
InChIInChI=1S/C45H33N3O/c1-45(2)37-21-11-9-18-34(37)42-36(26-31(27-38(42)45)39-28-30(24-25-46-39)29-14-5-3-6-15-29)33-20-13-22-40-43(33)47-44(35-19-10-12-23-41(35)49)48(40)32-16-7-4-8-17-32/h3-28,49H,1-2H3
InChIKeyHDSCKZMQBTYFRY-UHFFFAOYSA-N
MW631.78 g/mol
LogP11.10
Rot. Bonds5

About 2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol

2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol (PubChem CID 162784129) has the molecular formula C45H33N3O and a molecular weight of 631.78 g/mol. Its IUPAC name is 2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol
PubChem CID162784129
Molecular FormulaC45H33N3O
Molecular Weight631.78 g/mol
Exact Mass631.26
IUPAC Name2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol
SMILESCC1(C)c2ccccc2-c2c(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)cc(-c3cc(-c4ccccc4)ccn3)cc21
InChIInChI=1S/C45H33N3O/c1-45(2)37-21-11-9-18-34(37)42-36(26-31(27-38(42)45)39-28-30(24-25-46-39)29-14-5-3-6-15-29)33-20-13-22-40-43(33)47-44(35-19-10-12-23-41(35)49)48(40)32-16-7-4-8-17-32/h3-28,49H,1-2H3
InChIKeyHDSCKZMQBTYFRY-UHFFFAOYSA-N
XLogP11.10
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.78
LogP ≤ 511.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[4-[9,9-dimethyl-2-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]fluoren-4-yl]-1-[2-phenyl-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol
CID 162783353
2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 162783991
2-[4-[9,9-dimethyl-2-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]-3H-fluoren-3-id-4-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 162783641
2-[4-[9,9-dimethyl-3-[4-(4-phenylphenyl)-2-pyridinyl]-2H-fluoren-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 162782778
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-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864857
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-[3-phenyl-7-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864017
9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol
CID 162783267
2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164742712
2-[4-[9,9-dimethyl-1-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]fluoren-3-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
CID 162784159

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol?
The IUPAC name of 2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol (CID 162784129) is 2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol?
The canonical SMILES for 2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol is CC1(C)c2ccccc2-c2c(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)cc(-c3cc(-c4ccccc4)ccn3)cc21.
What is the InChIKey of 2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol?
The InChIKey is HDSCKZMQBTYFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N3O/c1-45(2)37-21-11-9-18-34(37)42-36(26-31(27-38(42)45)39-28-30(24-25-46-39)29-14-5-3-6-15-29)33-20-13-22-40-43(33)47-44(35-19-10-12-23-41(35)49)48(40)32-16-7-4-8-17-32/h3-28,49H,1-2H3.
What are the key properties of 2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol?
2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol has a molecular weight of 631.78 g/mol, XLogP of 11.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol is sourced from PubChem (CID 162784129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).