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

C64H42N4 — CID 58953786

IUPAC1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2c3ccc(-c4ccccc4-n4c(-c5ccccc5)nc5ccccc54)cc3c(-c3ccccc3)c3ccc(-c4ccccc4-n4c(-c5ccccc5)nc5ccccc54)cc23)cc1
InChIInChI=1S/C64H42N4/c1-5-21-43(22-6-1)61-51-39-37-48(50-30-14-18-34-58(50)68-60-36-20-16-32-56(60)66-64(68)46-27-11-4-12-28-46)42-54(51)62(44-23-7-2-8-24-44)52-40-38-47(41-53(52)61)49-29-13-17-33-57(49)67-59-35-19-15-31-55(59)65-63(67)45-25-9-3-10-26-45/h1-42H
InChIKeyUKJZLVOWGGLPFI-UHFFFAOYSA-N
MW867.07 g/mol
LogP16.67
Rot. Bonds8

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

1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole (PubChem CID 58953786) has the molecular formula C64H42N4 and a molecular weight of 867.07 g/mol. Its IUPAC name is 1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole
PubChem CID58953786
Molecular FormulaC64H42N4
Molecular Weight867.07 g/mol
Exact Mass866.34
IUPAC Name1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole
SMILESc1ccc(-c2c3ccc(-c4ccccc4-n4c(-c5ccccc5)nc5ccccc54)cc3c(-c3ccccc3)c3ccc(-c4ccccc4-n4c(-c5ccccc5)nc5ccccc54)cc23)cc1
InChIInChI=1S/C64H42N4/c1-5-21-43(22-6-1)61-51-39-37-48(50-30-14-18-34-58(50)68-60-36-20-16-32-56(60)66-64(68)46-27-11-4-12-28-46)42-54(51)62(44-23-7-2-8-24-44)52-40-38-47(41-53(52)61)49-29-13-17-33-57(49)67-59-35-19-15-31-55(59)65-63(67)45-25-9-3-10-26-45/h1-42H
InChIKeyUKJZLVOWGGLPFI-UHFFFAOYSA-N
XLogP16.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.07
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole
CID 170235690
1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953744
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 166509851
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
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-[2-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 169070276
1-[2-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 170236710
1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole
CID 20771522
1-[6-(9,10-diphenylanthracen-2-yl)-2-pyridinyl]-2-phenylbenzimidazole
CID 58953813
1-(5,12-diphenyltetracen-2-yl)-2-phenylbenzimidazole
CID 168827455
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474

Frequently Asked Questions

What is the IUPAC name of 1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole (CID 58953786) is 1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole is c1ccc(-c2c3ccc(-c4ccccc4-n4c(-c5ccccc5)nc5ccccc54)cc3c(-c3ccccc3)c3ccc(-c4ccccc4-n4c(-c5ccccc5)nc5ccccc54)cc23)cc1.
What is the InChIKey of 1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole?
The InChIKey is UKJZLVOWGGLPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4/c1-5-21-43(22-6-1)61-51-39-37-48(50-30-14-18-34-58(50)68-60-36-20-16-32-56(60)66-64(68)46-27-11-4-12-28-46)42-54(51)62(44-23-7-2-8-24-44)52-40-38-47(41-53(52)61)49-29-13-17-33-57(49)67-59-35-19-15-31-55(59)65-63(67)45-25-9-3-10-26-45/h1-42H.
What are the key properties of 1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole?
1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole has a molecular weight of 867.07 g/mol, XLogP of 16.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole is sourced from PubChem (CID 58953786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).