1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole

C51H32N2 — CID 67991412

IUPAC1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4)c4cccc-3c24)cc1
InChIInChI=1S/C51H32N2/c1-4-16-33(17-5-1)46-40-24-10-11-25-41(40)47(34-18-6-2-7-19-34)50-43-31-30-38(39-26-15-27-42(48(39)43)49(46)50)36-22-14-23-37(32-36)53-45-29-13-12-28-44(45)52-51(53)35-20-8-3-9-21-35/h1-32H
InChIKeyQJSJYDBXAFOQKY-UHFFFAOYSA-N
MW672.83 g/mol
LogP13.65
Rot. Bonds5

About 1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole

1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole (PubChem CID 67991412) has the molecular formula C51H32N2 and a molecular weight of 672.83 g/mol. Its IUPAC name is 1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole
PubChem CID67991412
Molecular FormulaC51H32N2
Molecular Weight672.83 g/mol
Exact Mass672.26
IUPAC Name1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4)c4cccc-3c24)cc1
InChIInChI=1S/C51H32N2/c1-4-16-33(17-5-1)46-40-24-10-11-25-41(40)47(34-18-6-2-7-19-34)50-43-31-30-38(39-26-15-27-42(48(39)43)49(46)50)36-22-14-23-37(32-36)53-45-29-13-12-28-44(45)52-51(53)35-20-8-3-9-21-35/h1-32H
InChIKeyQJSJYDBXAFOQKY-UHFFFAOYSA-N
XLogP13.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 163718987
2,4-bis(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1-phenylbenzimidazole;methane
CID 160785329
1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953744
1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953790
1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953833
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
1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole
CID 59010610
1-[4-(7,12-diphenylbenzo[a]anthracen-4-yl)phenyl]-2-phenylbenzimidazole
CID 88544845
1-[3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-2-phenylbenzimidazole
CID 166509863
1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
CID 59010634
9-[3-[2,4-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500891

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole (CID 67991412) is 1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole is c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4)c4cccc-3c24)cc1.
What is the InChIKey of 1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole?
The InChIKey is QJSJYDBXAFOQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2/c1-4-16-33(17-5-1)46-40-24-10-11-25-41(40)47(34-18-6-2-7-19-34)50-43-31-30-38(39-26-15-27-42(48(39)43)49(46)50)36-22-14-23-37(32-36)53-45-29-13-12-28-44(45)52-51(53)35-20-8-3-9-21-35/h1-32H.
What are the key properties of 1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole?
1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole has a molecular weight of 672.83 g/mol, XLogP of 13.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 67991412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).