1-phenyl-2-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]benzimidazole

C64H42N4 — CID 20771523

IUPAC1-phenyl-2-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]benzimidazole
SMILESc1ccc(-c2ccccc2-c2c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3c(-c3ccccc3-c3ccccc3)c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc23)cc1
InChIInChI=1S/C64H42N4/c1-5-21-43(22-6-1)49-29-13-15-31-51(49)61-53-39-37-46(64-66-58-34-18-20-36-60(58)68(64)48-27-11-4-12-28-48)42-56(53)62(52-32-16-14-30-50(52)44-23-7-2-8-24-44)54-40-38-45(41-55(54)61)63-65-57-33-17-19-35-59(57)67(63)47-25-9-3-10-26-47/h1-42H
InChIKeyWEFZRMWGHLMVQJ-UHFFFAOYSA-N
MW867.07 g/mol
LogP16.67
Rot. Bonds8

About 1-phenyl-2-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]benzimidazole

1-phenyl-2-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]benzimidazole (PubChem CID 20771523) has the molecular formula C64H42N4 and a molecular weight of 867.07 g/mol. Its IUPAC name is 1-phenyl-2-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]benzimidazole
PubChem CID20771523
Molecular FormulaC64H42N4
Molecular Weight867.07 g/mol
Exact Mass866.34
IUPAC Name1-phenyl-2-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]benzimidazole
SMILESc1ccc(-c2ccccc2-c2c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3c(-c3ccccc3-c3ccccc3)c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc23)cc1
InChIInChI=1S/C64H42N4/c1-5-21-43(22-6-1)49-29-13-15-31-51(49)61-53-39-37-46(64-66-58-34-18-20-36-60(58)68(64)48-27-11-4-12-28-48)42-56(53)62(52-32-16-14-30-50(52)44-23-7-2-8-24-44)54-40-38-45(41-55(54)61)63-65-57-33-17-19-35-59(57)67(63)47-25-9-3-10-26-47/h1-42H
InChIKeyWEFZRMWGHLMVQJ-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

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3-[1,3-Bis(naphthalen-2-ylmethyl)benzimidazol-3-ium-2-yl]propan-1-ol bromide
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CID 81692
4-[1-(1-naphthylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
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1-[[4-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
CID 25147556
1-Naphthalen-2-ylmethyl-2-piperazin-1-yl-1H-benzoimidazole
CID 44307990
2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-2,5-dimethylphenyl]-3H-benzimidazole-5-carboximidamide;hydrochloride
CID 44531711
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]benzimidazole?
The IUPAC name of 1-phenyl-2-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]benzimidazole (CID 20771523) is 1-phenyl-2-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]benzimidazole is c1ccc(-c2ccccc2-c2c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3c(-c3ccccc3-c3ccccc3)c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc23)cc1.
What is the InChIKey of 1-phenyl-2-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]benzimidazole?
The InChIKey is WEFZRMWGHLMVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4/c1-5-21-43(22-6-1)49-29-13-15-31-51(49)61-53-39-37-46(64-66-58-34-18-20-36-60(58)68(64)48-27-11-4-12-28-48)42-56(53)62(52-32-16-14-30-50(52)44-23-7-2-8-24-44)54-40-38-45(41-55(54)61)63-65-57-33-17-19-35-59(57)67(63)47-25-9-3-10-26-47/h1-42H.
What are the key properties of 1-phenyl-2-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]benzimidazole?
1-phenyl-2-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]benzimidazole 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-phenyl-2-[6-(1-phenylbenzimidazol-2-yl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]benzimidazole is sourced from PubChem (CID 20771523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).