1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole

C43H28N2 — CID 168827474

IUPAC1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C43H28N2/c1-3-13-29(14-4-1)41-35-19-9-10-20-36(35)42(38-28-33-16-8-7-15-32(33)27-37(38)41)30-23-25-31(26-24-30)43-44-39-21-11-12-22-40(39)45(43)34-17-5-2-6-18-34/h1-28H
InChIKeyLUDDSPXNRCOOEP-UHFFFAOYSA-N
MW572.71 g/mol
LogP11.49
Rot. Bonds4

About 1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole

1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole (PubChem CID 168827474) has the molecular formula C43H28N2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
PubChem CID168827474
Molecular FormulaC43H28N2
Molecular Weight572.71 g/mol
Exact Mass572.23
IUPAC Name1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C43H28N2/c1-3-13-29(14-4-1)41-35-19-9-10-20-36(35)42(38-28-33-16-8-7-15-32(33)27-37(38)41)30-23-25-31(26-24-30)43-44-39-21-11-12-22-40(39)45(43)34-17-5-2-6-18-34/h1-28H
InChIKeyLUDDSPXNRCOOEP-UHFFFAOYSA-N
XLogP11.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 511.49
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-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827456
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole
CID 168827455
2-(2,12-diphenyltetracen-5-yl)-1-phenylbenzimidazole
CID 168827448
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58894895
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-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-5H-benzo[b]carbazole
CID 163742367
1-[3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-2-phenylbenzimidazole
CID 166509863
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
2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58037722

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole (CID 168827474) is 1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole is c1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3cc4ccccc4cc23)cc1.
What is the InChIKey of 1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole?
The InChIKey is LUDDSPXNRCOOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2/c1-3-13-29(14-4-1)41-35-19-9-10-20-36(35)42(38-28-33-16-8-7-15-32(33)27-37(38)41)30-23-25-31(26-24-30)43-44-39-21-11-12-22-40(39)45(43)34-17-5-2-6-18-34/h1-28H.
What are the key properties of 1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole?
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole has a molecular weight of 572.71 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole is sourced from PubChem (CID 168827474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).