1-phenyl-2-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[k]fluoranthen-6-yl]phenyl]benzimidazole

C58H36N4 — CID 141395462

IUPAC1-phenyl-2-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[k]fluoranthen-6-yl]phenyl]benzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4cc5cccc6c5c(c4-c4ccc(-c5nc7ccccc7n5-c5ccccc5)cc4)-c4cc5ccccc5cc4-6)cc3)nc3ccccc32)cc1
InChIInChI=1S/C58H36N4/c1-3-17-44(18-4-1)61-52-24-11-9-22-50(52)59-57(61)39-30-26-37(27-31-39)47-36-43-16-13-21-46-48-34-41-14-7-8-15-42(41)35-49(48)56(55(43)46)54(47)38-28-32-40(33-29-38)58-60-51-23-10-12-25-53(51)62(58)45-19-5-2-6-20-45/h1-36H
InChIKeySFVJZCBOKKULQF-UHFFFAOYSA-N
MW788.95 g/mol
LogP14.99
Rot. Bonds6

About 1-phenyl-2-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[k]fluoranthen-6-yl]phenyl]benzimidazole

1-phenyl-2-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[k]fluoranthen-6-yl]phenyl]benzimidazole (PubChem CID 141395462) has the molecular formula C58H36N4 and a molecular weight of 788.95 g/mol. Its IUPAC name is 1-phenyl-2-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[k]fluoranthen-6-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[k]fluoranthen-6-yl]phenyl]benzimidazole
PubChem CID141395462
Molecular FormulaC58H36N4
Molecular Weight788.95 g/mol
Exact Mass788.29
IUPAC Name1-phenyl-2-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[k]fluoranthen-6-yl]phenyl]benzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4cc5cccc6c5c(c4-c4ccc(-c5nc7ccccc7n5-c5ccccc5)cc4)-c4cc5ccccc5cc4-6)cc3)nc3ccccc32)cc1
InChIInChI=1S/C58H36N4/c1-3-17-44(18-4-1)61-52-24-11-9-22-50(52)59-57(61)39-30-26-37(27-31-39)47-36-43-16-13-21-46-48-34-41-14-7-8-15-42(41)35-49(48)56(55(43)46)54(47)38-28-32-40(33-29-38)58-60-51-23-10-12-25-53(51)62(58)45-19-5-2-6-20-45/h1-36H
InChIKeySFVJZCBOKKULQF-UHFFFAOYSA-N
XLogP14.99
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.95
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(7,10-diphenylfluoranthen-8-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 118028353
2-[4-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]phenyl]-1-phenylbenzimidazole
CID 167412067
2-[4-[10-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 167410752
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-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole
CID 59010615
2-(4-benzo[a]anthracen-4-ylphenyl)-1-phenylbenzimidazole
CID 59412563
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
2-[4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 159805058
2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 87412319
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

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[k]fluoranthen-6-yl]phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[k]fluoranthen-6-yl]phenyl]benzimidazole (CID 141395462) is 1-phenyl-2-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[k]fluoranthen-6-yl]phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[k]fluoranthen-6-yl]phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[k]fluoranthen-6-yl]phenyl]benzimidazole is c1ccc(-n2c(-c3ccc(-c4cc5cccc6c5c(c4-c4ccc(-c5nc7ccccc7n5-c5ccccc5)cc4)-c4cc5ccccc5cc4-6)cc3)nc3ccccc32)cc1.
What is the InChIKey of 1-phenyl-2-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[k]fluoranthen-6-yl]phenyl]benzimidazole?
The InChIKey is SFVJZCBOKKULQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4/c1-3-17-44(18-4-1)61-52-24-11-9-22-50(52)59-57(61)39-30-26-37(27-31-39)47-36-43-16-13-21-46-48-34-41-14-7-8-15-42(41)35-49(48)56(55(43)46)54(47)38-28-32-40(33-29-38)58-60-51-23-10-12-25-53(51)62(58)45-19-5-2-6-20-45/h1-36H.
What are the key properties of 1-phenyl-2-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[k]fluoranthen-6-yl]phenyl]benzimidazole?
1-phenyl-2-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[k]fluoranthen-6-yl]phenyl]benzimidazole has a molecular weight of 788.95 g/mol, XLogP of 14.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[k]fluoranthen-6-yl]phenyl]benzimidazole is sourced from PubChem (CID 141395462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).