1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole

C45H30N2 — CID 58953815

IUPAC1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)ccc23)cc1
InChIInChI=1S/C45H30N2/c1-4-14-32(15-5-1)43-37-20-10-11-21-38(37)44(33-16-6-2-7-17-33)40-30-35(26-29-39(40)43)31-24-27-36(28-25-31)47-42-23-13-12-22-41(42)46-45(47)34-18-8-3-9-19-34/h1-30H
InChIKeyKUGBRINWZLTAIR-UHFFFAOYSA-N
MW598.75 g/mol
LogP12.00
Rot. Bonds5

About 1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole

1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole (PubChem CID 58953815) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
PubChem CID58953815
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC Name1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)ccc23)cc1
InChIInChI=1S/C45H30N2/c1-4-14-32(15-5-1)43-37-20-10-11-21-38(37)44(33-16-6-2-7-17-33)40-30-35(26-29-39(40)43)31-24-27-36(28-25-31)47-42-23-13-12-22-41(42)46-45(47)34-18-8-3-9-19-34/h1-30H
InChIKeyKUGBRINWZLTAIR-UHFFFAOYSA-N
XLogP12.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-[4-(9,10-diphenyl-6-propan-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953696
1-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953721
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827456
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
2-(2,12-diphenyltetracen-5-yl)-1-phenylbenzimidazole
CID 168827448
1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole
CID 58953775
2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758
1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole
CID 20771522

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole (CID 58953815) is 1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)ccc23)cc1.
What is the InChIKey of 1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole?
The InChIKey is KUGBRINWZLTAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2/c1-4-14-32(15-5-1)43-37-20-10-11-21-38(37)44(33-16-6-2-7-17-33)40-30-35(26-29-39(40)43)31-24-27-36(28-25-31)47-42-23-13-12-22-41(42)46-45(47)34-18-8-3-9-19-34/h1-30H.
What are the key properties of 1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole?
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole has a molecular weight of 598.75 g/mol, XLogP of 12.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 58953815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).