2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole

C54H36N2 — CID 142453614

IUPAC2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4cc5c(cc4-c4cccc6ccccc46)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C54H36N2/c1-4-19-40(20-5-1)54(41-21-6-2-7-22-41)49-28-13-12-26-45(49)48-35-47(44-27-16-18-37-17-10-11-25-43(37)44)46(36-50(48)54)38-31-33-39(34-32-38)53-55-51-29-14-15-30-52(51)56(53)42-23-8-3-9-24-42/h1-36H
InChIKeyZWDGQPVPDRVGCH-UHFFFAOYSA-N
MW712.90 g/mol
LogP13.54
Rot. Bonds6

About 2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole

2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 142453614) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
PubChem CID142453614
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4cc5c(cc4-c4cccc6ccccc46)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C54H36N2/c1-4-19-40(20-5-1)54(41-21-6-2-7-22-41)49-28-13-12-26-45(49)48-35-47(44-27-16-18-37-17-10-11-25-43(37)44)46(36-50(48)54)38-31-33-39(34-32-38)53-55-51-29-14-15-30-52(51)56(53)42-23-8-3-9-24-42/h1-36H
InChIKeyZWDGQPVPDRVGCH-UHFFFAOYSA-N
XLogP13.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[9,9-diphenyl-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]quinoline
CID 142453647
2-(9,9-dimethylfluoren-2-yl)-3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]quinoxaline;2-(9,9-diphenylfluoren-2-yl)-3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]quinoxaline;2-naphthalen-1-yl-3-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]quinoxaline;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(2-phenylphenyl)quinoxaline;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(3-phenylphenyl)quinoxaline;2-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(9,9'-spirobi[fluorene]-2-yl)quinoxaline
CID 159070372
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
1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole
CID 58106321
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
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
2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157208810
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole (CID 142453614) is 2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole is c1ccc(-n2c(-c3ccc(-c4cc5c(cc4-c4cccc6ccccc46)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole?
The InChIKey is ZWDGQPVPDRVGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-4-19-40(20-5-1)54(41-21-6-2-7-22-41)49-28-13-12-26-45(49)48-35-47(44-27-16-18-37-17-10-11-25-43(37)44)46(36-50(48)54)38-31-33-39(34-32-38)53-55-51-29-14-15-30-52(51)56(53)42-23-8-3-9-24-42/h1-36H.
What are the key properties of 2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole?
2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole has a molecular weight of 712.90 g/mol, XLogP of 13.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 142453614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).