9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol

C45H33N3O — CID 162783267

IUPAC9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol
SMILESCC1(C)c2ccccc2-c2cc(-c3nc4c(-c5cc(-c6ccccc6)cc(-c6ccccn6)c5)cccc4n3-c3ccccc3)c(O)cc21
InChIInChI=1S/C45H33N3O/c1-45(2)38-20-10-9-18-35(38)36-27-37(42(49)28-39(36)45)44-47-43-34(19-13-22-41(43)48(44)33-16-7-4-8-17-33)31-24-30(29-14-5-3-6-15-29)25-32(26-31)40-21-11-12-23-46-40/h3-28,49H,1-2H3
InChIKeyXZURTTQZBFSHEO-UHFFFAOYSA-N
MW631.78 g/mol
LogP11.10
Rot. Bonds5

About 9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol

9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol (PubChem CID 162783267) has the molecular formula C45H33N3O and a molecular weight of 631.78 g/mol. Its IUPAC name is 9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol.

Molecular Properties

Compound Name9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol
PubChem CID162783267
Molecular FormulaC45H33N3O
Molecular Weight631.78 g/mol
Exact Mass631.26
IUPAC Name9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol
SMILESCC1(C)c2ccccc2-c2cc(-c3nc4c(-c5cc(-c6ccccc6)cc(-c6ccccn6)c5)cccc4n3-c3ccccc3)c(O)cc21
InChIInChI=1S/C45H33N3O/c1-45(2)38-20-10-9-18-35(38)36-27-37(42(49)28-39(36)45)44-47-43-34(19-13-22-41(43)48(44)33-16-7-4-8-17-33)31-24-30(29-14-5-3-6-15-29)25-32(26-31)40-21-11-12-23-46-40/h3-28,49H,1-2H3
InChIKeyXZURTTQZBFSHEO-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-[3-(9,9-dimethylindeno[2,1-c]pyridin-3-yl)-5-phenylphenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
CID 162783231
5-deuterio-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 171424937
2-[4-[9,9-dimethyl-2-(4-phenyl-2-pyridinyl)fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol
CID 162784129
2-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864557
2-[4-[9,9-dimethyl-2-[4-(4-phenylphenyl)-2-pyridinyl]fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol
CID 162783135
4-(N-phenylanilino)-2-[1-phenyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]phenol
CID 140906004
2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140864165
2-[4-(3-pyridin-2-ylphenyl)-1-(2,2'-spirobi[1,3-dihydroindene]-5-yl)benzimidazol-2-yl]phenol
CID 164727607
3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol
CID 140865175
2-[4-[9,9-dimethyl-1-(4-phenyl-2-pyridinyl)-2H-fluoren-2-id-3-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 162783991
6-methyl-4-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol
CID 140864229
2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 164742379

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol?
The IUPAC name of 9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol (CID 162783267) is 9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol.
What is the SMILES notation for 9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol?
The canonical SMILES for 9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol is CC1(C)c2ccccc2-c2cc(-c3nc4c(-c5cc(-c6ccccc6)cc(-c6ccccn6)c5)cccc4n3-c3ccccc3)c(O)cc21.
What is the InChIKey of 9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol?
The InChIKey is XZURTTQZBFSHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N3O/c1-45(2)38-20-10-9-18-35(38)36-27-37(42(49)28-39(36)45)44-47-43-34(19-13-22-41(43)48(44)33-16-7-4-8-17-33)31-24-30(29-14-5-3-6-15-29)25-32(26-31)40-21-11-12-23-46-40/h3-28,49H,1-2H3.
What are the key properties of 9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol?
9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol 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 9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol is sourced from PubChem (CID 162783267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).