2-[3-(7,10-diphenylfluoranthen-8-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole

C60H38N4 — CID 118028353

IUPAC2-[3-(7,10-diphenylfluoranthen-8-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-c2cc(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C60H38N4/c1-5-19-39(20-6-1)49-38-50(56(41-21-7-2-8-22-41)58-48-30-18-24-40-23-17-29-47(55(40)48)57(49)58)42-35-43(59-61-51-31-13-15-33-53(51)63(59)45-25-9-3-10-26-45)37-44(36-42)60-62-52-32-14-16-34-54(52)64(60)46-27-11-4-12-28-46/h1-38H
InChIKeyPGGUXCCKNSZBOK-UHFFFAOYSA-N
MW814.99 g/mol
LogP15.50
Rot. Bonds7

About 2-[3-(7,10-diphenylfluoranthen-8-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole

2-[3-(7,10-diphenylfluoranthen-8-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 118028353) has the molecular formula C60H38N4 and a molecular weight of 814.99 g/mol. Its IUPAC name is 2-[3-(7,10-diphenylfluoranthen-8-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[3-(7,10-diphenylfluoranthen-8-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
PubChem CID118028353
Molecular FormulaC60H38N4
Molecular Weight814.99 g/mol
Exact Mass814.31
IUPAC Name2-[3-(7,10-diphenylfluoranthen-8-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-c2cc(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C60H38N4/c1-5-19-39(20-6-1)49-38-50(56(41-21-7-2-8-22-41)58-48-30-18-24-40-23-17-29-47(55(40)48)57(49)58)42-35-43(59-61-51-31-13-15-33-53(51)63(59)45-25-9-3-10-26-45)37-44(36-42)60-62-52-32-14-16-34-54(52)64(60)46-27-11-4-12-28-46/h1-38H
InChIKeyPGGUXCCKNSZBOK-UHFFFAOYSA-N
XLogP15.50
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.99
LogP ≤ 515.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-[7,10-bis(3-pyrimidin-5-ylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole;5-[3-[3-[7,10-bis[3-(3-pyrimidin-5-ylphenyl)phenyl]fluoranthen-8-yl]phenyl]phenyl]pyrimidine;2-[3-[3-[10-[3-[3,5-di(pyrimidin-2-yl)phenyl]phenyl]-8-phenylfluoranthen-7-yl]phenyl]-5-pyrimidin-2-ylphenyl]pyrimidine
CID 161023554
1-phenyl-2-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[k]fluoranthen-6-yl]phenyl]benzimidazole
CID 141395462
1-phenyl-2-[10-[3-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]benzimidazole;1-phenyl-2-[10-[4-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]benzimidazole;1-phenyl-2-[4-[10-[3-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole;1-phenyl-2-[10-[3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole
CID 158895987
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole
CID 148846094
1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole
CID 67991412
2-[3-(4-bromo-9,9'-spirobi[fluorene]-4'-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 130287426
4-[3-(7,10-diphenylfluoranthen-8-yl)-5-pyridin-4-ylphenyl]pyridine
CID 118028340
2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole
CID 126517504
2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole
CID 71104991
2-[10-[4-(6-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)phenyl]anthracen-9-yl]-1-phenylbenzimidazole
CID 167411507
8-phenyl-7,10-bis[3-(3-phenylphenyl)phenyl]fluoranthene
CID 123560042

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7,10-diphenylfluoranthen-8-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[3-(7,10-diphenylfluoranthen-8-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole (CID 118028353) is 2-[3-(7,10-diphenylfluoranthen-8-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[3-(7,10-diphenylfluoranthen-8-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[3-(7,10-diphenylfluoranthen-8-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole is c1ccc(-c2cc(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 2-[3-(7,10-diphenylfluoranthen-8-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
The InChIKey is PGGUXCCKNSZBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4/c1-5-19-39(20-6-1)49-38-50(56(41-21-7-2-8-22-41)58-48-30-18-24-40-23-17-29-47(55(40)48)57(49)58)42-35-43(59-61-51-31-13-15-33-53(51)63(59)45-25-9-3-10-26-45)37-44(36-42)60-62-52-32-14-16-34-54(52)64(60)46-27-11-4-12-28-46/h1-38H.
What are the key properties of 2-[3-(7,10-diphenylfluoranthen-8-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole?
2-[3-(7,10-diphenylfluoranthen-8-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole has a molecular weight of 814.99 g/mol, XLogP of 15.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7,10-diphenylfluoranthen-8-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 118028353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).