1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole

C43H28N2 — CID 168827455

IUPAC1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole
SMILESc1ccc(-c2c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3c(-c3ccccc3)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C43H28N2/c1-4-14-29(15-5-1)41-35-25-24-34(45-40-23-13-12-22-39(40)44-43(45)31-18-8-3-9-19-31)28-38(35)42(30-16-6-2-7-17-30)37-27-33-21-11-10-20-32(33)26-36(37)41/h1-28H
InChIKeyOEVJZGPBGSOHAH-UHFFFAOYSA-N
MW572.71 g/mol
LogP11.49
Rot. Bonds4

About 1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole

1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole (PubChem CID 168827455) has the molecular formula C43H28N2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole
PubChem CID168827455
Molecular FormulaC43H28N2
Molecular Weight572.71 g/mol
Exact Mass572.23
IUPAC Name1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole
SMILESc1ccc(-c2c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3c(-c3ccccc3)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C43H28N2/c1-4-14-29(15-5-1)41-35-25-24-34(45-40-23-13-12-22-39(40)44-43(45)31-18-8-3-9-19-31)28-38(35)42(30-16-6-2-7-17-30)37-27-33-21-11-10-20-32(33)26-36(37)41/h1-28H
InChIKeyOEVJZGPBGSOHAH-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-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953790
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953744
2-phenyl-1-[4-(11-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827456
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole
CID 170236214
1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953833
2-(2,12-diphenyltetracen-5-yl)-1-phenylbenzimidazole
CID 168827448
1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole
CID 58953775
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
1-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 59412495

Frequently Asked Questions

What is the IUPAC name of 1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole?
The IUPAC name of 1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole (CID 168827455) is 1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole.
What is the SMILES notation for 1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole?
The canonical SMILES for 1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole is c1ccc(-c2c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3c(-c3ccccc3)c3cc4ccccc4cc23)cc1.
What is the InChIKey of 1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole?
The InChIKey is OEVJZGPBGSOHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2/c1-4-14-29(15-5-1)41-35-25-24-34(45-40-23-13-12-22-39(40)44-43(45)31-18-8-3-9-19-31)28-38(35)42(30-16-6-2-7-17-30)37-27-33-21-11-10-20-32(33)26-36(37)41/h1-28H.
What are the key properties of 1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole?
1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole 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-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole is sourced from PubChem (CID 168827455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).