1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole

C52H34N4 — CID 58953790

IUPAC1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole
SMILESc1ccc(-c2c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3c(-c3ccccc3)c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc23)cc1
InChIInChI=1S/C52H34N4/c1-5-17-35(18-6-1)49-41-31-29-40(56-48-28-16-14-26-46(48)54-52(56)38-23-11-4-12-24-38)34-44(41)50(36-19-7-2-8-20-36)42-32-30-39(33-43(42)49)55-47-27-15-13-25-45(47)53-51(55)37-21-9-3-10-22-37/h1-34H
InChIKeyHMCQGWGFIDVMCM-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.34
Rot. Bonds6

About 1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole

1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole (PubChem CID 58953790) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole
PubChem CID58953790
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole
SMILESc1ccc(-c2c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3c(-c3ccccc3)c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc23)cc1
InChIInChI=1S/C52H34N4/c1-5-17-35(18-6-1)49-41-31-29-40(56-48-28-16-14-26-46(48)54-52(56)38-23-11-4-12-24-38)34-44(41)50(36-19-7-2-8-20-36)42-32-30-39(33-43(42)49)55-47-27-15-13-25-45(47)53-51(55)37-21-9-3-10-22-37/h1-34H
InChIKeyHMCQGWGFIDVMCM-UHFFFAOYSA-N
XLogP13.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole
CID 168827455
1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953744
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953833
1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole
CID 58953775
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
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-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole
CID 170236214
1-[4-(9,10-diphenyl-6-propan-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953696
2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 87412319
1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984

Frequently Asked Questions

What is the IUPAC name of 1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole?
The IUPAC name of 1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole (CID 58953790) is 1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole is c1ccc(-c2c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3c(-c3ccccc3)c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc23)cc1.
What is the InChIKey of 1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole?
The InChIKey is HMCQGWGFIDVMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-5-17-35(18-6-1)49-41-31-29-40(56-48-28-16-14-26-46(48)54-52(56)38-23-11-4-12-24-38)34-44(41)50(36-19-7-2-8-20-36)42-32-30-39(33-43(42)49)55-47-27-15-13-25-45(47)53-51(55)37-21-9-3-10-22-37/h1-34H.
What are the key properties of 1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole?
1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole has a molecular weight of 714.87 g/mol, XLogP of 13.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9,10-diphenyl-6-(2-phenylbenzimidazol-1-yl)anthracen-2-yl]-2-phenylbenzimidazole is sourced from PubChem (CID 58953790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).