2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole

C43H28N2 — CID 168827456

IUPAC2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole
SMILESc1ccc(-c2c3ccccc3cc3c(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c4ccccc4cc23)cc1
InChIInChI=1S/C43H28N2/c1-3-13-29(14-4-1)41-35-19-9-7-17-32(35)28-38-37(41)27-33-18-8-10-20-36(33)42(38)30-23-25-34(26-24-30)45-40-22-12-11-21-39(40)44-43(45)31-15-5-2-6-16-31/h1-28H
InChIKeyCIKMFCDPGWUTAE-UHFFFAOYSA-N
MW572.71 g/mol
LogP11.49
Rot. Bonds4

About 2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole

2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole (PubChem CID 168827456) has the molecular formula C43H28N2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole
PubChem CID168827456
Molecular FormulaC43H28N2
Molecular Weight572.71 g/mol
Exact Mass572.23
IUPAC Name2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole
SMILESc1ccc(-c2c3ccccc3cc3c(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c4ccccc4cc23)cc1
InChIInChI=1S/C43H28N2/c1-3-13-29(14-4-1)41-35-19-9-7-17-32(35)28-38-37(41)27-33-18-8-10-20-36(33)42(38)30-23-25-34(26-24-30)45-40-22-12-11-21-39(40)44-43(45)31-15-5-2-6-16-31/h1-28H
InChIKeyCIKMFCDPGWUTAE-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

1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole
CID 168827455
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-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 59412495
2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 167136922
2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 87412319
2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole
CID 170236214
2-(2,12-diphenyltetracen-5-yl)-1-phenylbenzimidazole
CID 168827448
1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953744
2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58037722

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole?
The IUPAC name of 2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole (CID 168827456) is 2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole?
The canonical SMILES for 2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole is c1ccc(-c2c3ccccc3cc3c(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c4ccccc4cc23)cc1.
What is the InChIKey of 2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole?
The InChIKey is CIKMFCDPGWUTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2/c1-3-13-29(14-4-1)41-35-19-9-7-17-32(35)28-38-37(41)27-33-18-8-10-20-36(33)42(38)30-23-25-34(26-24-30)45-40-22-12-11-21-39(40)44-43(45)31-15-5-2-6-16-31/h1-28H.
What are the key properties of 2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole?
2-phenyl-1-[4-(11-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 2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole is sourced from PubChem (CID 168827456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).