1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole

C49H33N3 — CID 142453505

IUPAC1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc4c(c3-c3ccccn3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C49H33N3/c1-4-16-35(17-5-1)48-51-43-24-12-13-26-45(43)52(48)38-29-27-34(28-30-38)39-31-32-42-46(47(39)44-25-14-15-33-50-44)40-22-10-11-23-41(40)49(42,36-18-6-2-7-19-36)37-20-8-3-9-21-37/h1-33H
InChIKeyVWFZQXKYDVVHSG-UHFFFAOYSA-N
MW663.82 g/mol
LogP11.78
Rot. Bonds6

About 1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole

1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole (PubChem CID 142453505) has the molecular formula C49H33N3 and a molecular weight of 663.82 g/mol. Its IUPAC name is 1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole
PubChem CID142453505
Molecular FormulaC49H33N3
Molecular Weight663.82 g/mol
Exact Mass663.27
IUPAC Name1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc4c(c3-c3ccccn3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C49H33N3/c1-4-16-35(17-5-1)48-51-43-24-12-13-26-45(43)52(48)38-29-27-34(28-30-38)39-31-32-42-46(47(39)44-25-14-15-33-50-44)40-22-10-11-23-41(40)49(42,36-18-6-2-7-19-36)37-20-8-3-9-21-37/h1-33H
InChIKeyVWFZQXKYDVVHSG-UHFFFAOYSA-N
XLogP11.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-1-phenylbenzimidazole
CID 142453579
1-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenylbenzimidazole
CID 146495716
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline
CID 142453647
11'-[4-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide
CID 134573475
2-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)-9-phenyl-1,10-phenanthroline
CID 142453495
2-phenyl-1-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-ylphenyl)benzimidazole
CID 164938475
19-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-14-phenylspiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene];14-phenyl-19-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene-9,9'-xanthene]
CID 165062149
5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline
CID 138705106
ethene;1-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]-2-phenylbenzimidazole
CID 143828948
14-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-xanthene];14-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-xanthene]
CID 165058245
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-2-phenylbenzimidazole
CID 118688206

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole (CID 142453505) is 1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole is c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc4c(c3-c3ccccn3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole?
The InChIKey is VWFZQXKYDVVHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3/c1-4-16-35(17-5-1)48-51-43-24-12-13-26-45(43)52(48)38-29-27-34(28-30-38)39-31-32-42-46(47(39)44-25-14-15-33-50-44)40-22-10-11-23-41(40)49(42,36-18-6-2-7-19-36)37-20-8-3-9-21-37/h1-33H.
What are the key properties of 1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole?
1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole has a molecular weight of 663.82 g/mol, XLogP of 11.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 142453505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).