1-[6-(9,10-diphenylanthracen-2-yl)-2-pyridinyl]-2-phenylbenzimidazole

C44H29N3 — CID 58953813

IUPAC1-[6-(9,10-diphenylanthracen-2-yl)-2-pyridinyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)n4)ccc23)cc1
InChIInChI=1S/C44H29N3/c1-4-15-30(16-5-1)42-34-21-10-11-22-35(34)43(31-17-6-2-7-18-31)37-29-33(27-28-36(37)42)38-24-14-26-41(45-38)47-40-25-13-12-23-39(40)46-44(47)32-19-8-3-9-20-32/h1-29H
InChIKeyZKUMELUMUCHUBY-UHFFFAOYSA-N
MW599.74 g/mol
LogP11.39
Rot. Bonds5

About 1-[6-(9,10-diphenylanthracen-2-yl)-2-pyridinyl]-2-phenylbenzimidazole

1-[6-(9,10-diphenylanthracen-2-yl)-2-pyridinyl]-2-phenylbenzimidazole (PubChem CID 58953813) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is 1-[6-(9,10-diphenylanthracen-2-yl)-2-pyridinyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[6-(9,10-diphenylanthracen-2-yl)-2-pyridinyl]-2-phenylbenzimidazole
PubChem CID58953813
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC Name1-[6-(9,10-diphenylanthracen-2-yl)-2-pyridinyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)n4)ccc23)cc1
InChIInChI=1S/C44H29N3/c1-4-15-30(16-5-1)42-34-21-10-11-22-35(34)43(31-17-6-2-7-18-31)37-29-33(27-28-36(37)42)38-24-14-26-41(45-38)47-40-25-13-12-23-39(40)46-44(47)32-19-8-3-9-20-32/h1-29H
InChIKeyZKUMELUMUCHUBY-UHFFFAOYSA-N
XLogP11.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953790
1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole
CID 58953786
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole
CID 143548276
1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole
CID 67891713
1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953744
2-[3-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 158746248
1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole
CID 168827455
2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827456
2-[4-(10-phenylanthracen-9-yl)phenyl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,10-phenanthroline
CID 122578272

Frequently Asked Questions

What is the IUPAC name of 1-[6-(9,10-diphenylanthracen-2-yl)-2-pyridinyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[6-(9,10-diphenylanthracen-2-yl)-2-pyridinyl]-2-phenylbenzimidazole (CID 58953813) is 1-[6-(9,10-diphenylanthracen-2-yl)-2-pyridinyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[6-(9,10-diphenylanthracen-2-yl)-2-pyridinyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[6-(9,10-diphenylanthracen-2-yl)-2-pyridinyl]-2-phenylbenzimidazole is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)n4)ccc23)cc1.
What is the InChIKey of 1-[6-(9,10-diphenylanthracen-2-yl)-2-pyridinyl]-2-phenylbenzimidazole?
The InChIKey is ZKUMELUMUCHUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-4-15-30(16-5-1)42-34-21-10-11-22-35(34)43(31-17-6-2-7-18-31)37-29-33(27-28-36(37)42)38-24-14-26-41(45-38)47-40-25-13-12-23-39(40)46-44(47)32-19-8-3-9-20-32/h1-29H.
What are the key properties of 1-[6-(9,10-diphenylanthracen-2-yl)-2-pyridinyl]-2-phenylbenzimidazole?
1-[6-(9,10-diphenylanthracen-2-yl)-2-pyridinyl]-2-phenylbenzimidazole has a molecular weight of 599.74 g/mol, XLogP of 11.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(9,10-diphenylanthracen-2-yl)-2-pyridinyl]-2-phenylbenzimidazole is sourced from PubChem (CID 58953813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).