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

C49H33N3 — CID 142453579

IUPAC2-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc5c(c4-c4ccccn4)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C49H33N3/c1-4-16-36(17-5-1)49(37-18-6-2-7-19-37)41-23-11-10-22-40(41)46-42(49)32-31-39(47(46)44-25-14-15-33-50-44)34-27-29-35(30-28-34)48-51-43-24-12-13-26-45(43)52(48)38-20-8-3-9-21-38/h1-33H
InChIKeyVRXMDWJKMGTSKV-UHFFFAOYSA-N
MW663.82 g/mol
LogP11.78
Rot. Bonds6

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

2-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 142453579) has the molecular formula C49H33N3 and a molecular weight of 663.82 g/mol. Its IUPAC name is 2-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-1-phenylbenzimidazole
PubChem CID142453579
Molecular FormulaC49H33N3
Molecular Weight663.82 g/mol
Exact Mass663.27
IUPAC Name2-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc5c(c4-c4ccccn4)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C49H33N3/c1-4-16-36(17-5-1)49(37-18-6-2-7-19-37)41-23-11-10-22-40(41)46-42(49)32-31-39(47(46)44-25-14-15-33-50-44)34-27-29-35(30-28-34)48-51-43-24-12-13-26-45(43)52(48)38-20-8-3-9-21-38/h1-33H
InChIKeyVRXMDWJKMGTSKV-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

1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole
CID 142453505
5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline
CID 142453647
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
2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 142453614
2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-1-phenylbenzimidazole
CID 153448985
5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline
CID 138705119
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
1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole
CID 59245495
2-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)-9-phenyl-1,10-phenanthroline
CID 142453495
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)-1-phenylbenzimidazole
CID 146495261
9,9-diphenyl-14-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-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
CID 129124126

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-1-phenylbenzimidazole (CID 142453579) is 2-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-1-phenylbenzimidazole is c1ccc(-n2c(-c3ccc(-c4ccc5c(c4-c4ccccn4)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-1-phenylbenzimidazole?
The InChIKey is VRXMDWJKMGTSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3/c1-4-16-36(17-5-1)49(37-18-6-2-7-19-37)41-23-11-10-22-40(41)46-42(49)32-31-39(47(46)44-25-14-15-33-50-44)34-27-29-35(30-28-34)48-51-43-24-12-13-26-45(43)52(48)38-20-8-3-9-21-38/h1-33H.
What are the key properties of 2-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-1-phenylbenzimidazole?
2-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-1-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 2-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 142453579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).