1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole

C34H21N3 — CID 67891713

IUPAC1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2cccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1
InChIInChI=1S/C34H21N3/c1-2-10-22(11-3-1)34-36-30-16-6-7-18-31(30)37(34)32-19-9-17-29(35-32)25-20-21-28-24-13-5-4-12-23(24)26-14-8-15-27(25)33(26)28/h1-21H
InChIKeyDFQXIDKUGWSZNU-UHFFFAOYSA-N
MW471.56 g/mol
LogP8.56
Rot. Bonds3

About 1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole

1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole (PubChem CID 67891713) has the molecular formula C34H21N3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole
PubChem CID67891713
Molecular FormulaC34H21N3
Molecular Weight471.56 g/mol
Exact Mass471.17
IUPAC Name1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole
SMILESc1ccc(-c2nc3ccccc3n2-c2cccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1
InChIInChI=1S/C34H21N3/c1-2-10-22(11-3-1)34-36-30-16-6-7-18-31(30)37(34)32-19-9-17-29(35-32)25-20-21-28-24-13-5-4-12-23(24)26-14-8-15-27(25)33(26)28/h1-21H
InChIKeyDFQXIDKUGWSZNU-UHFFFAOYSA-N
XLogP8.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(9,10-diphenylanthracen-2-yl)-2-pyridinyl]-2-phenylbenzimidazole
CID 58953813
1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-fluoranthen-3-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 169072170
1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole
CID 67991412
2-fluoranthen-3-yl-1-methylbenzimidazole
CID 121287547
2-phenyl-1-pyridin-2-ylbenzimidazole
CID 134960173
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 166019341
1-[2-(10-fluoranthen-3-ylanthracen-9-yl)phenyl]-2-methylbenzimidazole
CID 170236099
1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
CID 148932878
2,3-diphenyl-1-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-(6-pyridin-4-yl-2-pyridinyl)benzo[g]indole
CID 58556594
2-phenyl-1-[5-(2-phenylbenzimidazol-1-yl)benzo[c]phenanthren-8-yl]benzimidazole
CID 118011357
1-[4-(10-fluoranthen-3-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole
CID 169070481
1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole
CID 59010610

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole?
The IUPAC name of 1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole (CID 67891713) is 1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole.
What is the SMILES notation for 1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole?
The canonical SMILES for 1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole is c1ccc(-c2nc3ccccc3n2-c2cccc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1.
What is the InChIKey of 1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole?
The InChIKey is DFQXIDKUGWSZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3/c1-2-10-22(11-3-1)34-36-30-16-6-7-18-31(30)37(34)32-19-9-17-29(35-32)25-20-21-28-24-13-5-4-12-23(24)26-14-8-15-27(25)33(26)28/h1-21H.
What are the key properties of 1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole?
1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole has a molecular weight of 471.56 g/mol, XLogP of 8.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole is sourced from PubChem (CID 67891713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).