5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline

C53H35N3 — CID 142453647

IUPAC5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline
SMILESc1ccc(-n2c(-c3ccc(-c4cc5c(cc4-c4cccc6ncccc46)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)nc3ccccc32)cc1
InChIInChI=1S/C53H35N3/c1-4-16-38(17-5-1)53(39-18-6-2-7-19-39)47-25-11-10-22-42(47)46-34-44(45(35-48(46)53)41-23-14-27-49-43(41)24-15-33-54-49)36-29-31-37(32-30-36)52-55-50-26-12-13-28-51(50)56(52)40-20-8-3-9-21-40/h1-35H
InChIKeyYEHSEYOMRUJWBI-UHFFFAOYSA-N
MW713.88 g/mol
LogP12.94
Rot. Bonds6

About 5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline

5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline (PubChem CID 142453647) has the molecular formula C53H35N3 and a molecular weight of 713.88 g/mol. Its IUPAC name is 5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline.

Molecular Properties

Compound Name5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline
PubChem CID142453647
Molecular FormulaC53H35N3
Molecular Weight713.88 g/mol
Exact Mass713.28
IUPAC Name5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline
SMILESc1ccc(-n2c(-c3ccc(-c4cc5c(cc4-c4cccc6ncccc46)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)nc3ccccc32)cc1
InChIInChI=1S/C53H35N3/c1-4-16-38(17-5-1)53(39-18-6-2-7-19-39)47-25-11-10-22-42(47)46-34-44(45(35-48(46)53)41-23-14-27-49-43(41)24-15-33-54-49)36-29-31-37(32-30-36)52-55-50-26-12-13-28-51(50)56(52)40-20-8-3-9-21-40/h1-35H
InChIKeyYEHSEYOMRUJWBI-UHFFFAOYSA-N
XLogP12.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 142453614
2-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-1-phenylbenzimidazole
CID 142453579
10,10-diphenyl-21-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129123975
2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-1-phenylbenzimidazole
CID 138574311
1-[4-(9,9-diphenyl-4-pyridin-2-ylfluoren-3-yl)phenyl]-2-phenylbenzimidazole
CID 142453505
4-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]benzonitrile
CID 155157496
1-phenyl-2-[4-[9-phenyl-2,7-bis(5-phenylthiophen-2-yl)fluoren-9-yl]phenyl]benzimidazole
CID 59245495
2-(4-phenylphenyl)-1-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzimidazole
CID 170942090
1-(4-phenylphenyl)-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylbenzimidazole
CID 134528323
14-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 130394114
2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole
CID 137413800
2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole
CID 58471989

Frequently Asked Questions

What is the IUPAC name of 5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline?
The IUPAC name of 5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline (CID 142453647) is 5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline.
What is the SMILES notation for 5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline?
The canonical SMILES for 5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline is c1ccc(-n2c(-c3ccc(-c4cc5c(cc4-c4cccc6ncccc46)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)nc3ccccc32)cc1.
What is the InChIKey of 5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline?
The InChIKey is YEHSEYOMRUJWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3/c1-4-16-38(17-5-1)53(39-18-6-2-7-19-39)47-25-11-10-22-42(47)46-34-44(45(35-48(46)53)41-23-14-27-49-43(41)24-15-33-54-49)36-29-31-37(32-30-36)52-55-50-26-12-13-28-51(50)56(52)40-20-8-3-9-21-40/h1-35H.
What are the key properties of 5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline?
5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline has a molecular weight of 713.88 g/mol, XLogP of 12.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline is sourced from PubChem (CID 142453647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).