1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole

C76H50N4 — CID 20771522

IUPAC1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole
SMILESc1ccc(-c2ccccc2-c2c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3c(-c3ccccc3-c3ccccc3)c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)cc1
InChIInChI=1S/C76H50N4/c1-5-21-53(22-6-1)61-29-13-15-31-63(61)73-65-47-45-58(52-39-43-56(44-40-52)76-78-70-34-18-20-36-72(70)80(76)60-27-11-4-12-28-60)50-68(65)74(64-32-16-14-30-62(64)54-23-7-2-8-24-54)66-48-46-57(49-67(66)73)51-37-41-55(42-38-51)75-77-69-33-17-19-35-71(69)79(75)59-25-9-3-10-26-59/h1-50H
InChIKeyPJGCIAYCXHYQNN-UHFFFAOYSA-N
MW1019.26 g/mol
LogP20.01
Rot. Bonds10

About 1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole

1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole (PubChem CID 20771522) has the molecular formula C76H50N4 and a molecular weight of 1019.26 g/mol. Its IUPAC name is 1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole
PubChem CID20771522
Molecular FormulaC76H50N4
Molecular Weight1019.26 g/mol
Exact Mass1018.40
IUPAC Name1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole
SMILESc1ccc(-c2ccccc2-c2c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3c(-c3ccccc3-c3ccccc3)c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)cc1
InChIInChI=1S/C76H50N4/c1-5-21-53(22-6-1)61-29-13-15-31-63(61)73-65-47-45-58(52-39-43-56(44-40-52)76-78-70-34-18-20-36-72(70)80(76)60-27-11-4-12-28-60)50-68(65)74(64-32-16-14-30-62(64)54-23-7-2-8-24-54)66-48-46-57(49-67(66)73)51-37-41-55(42-38-51)75-77-69-33-17-19-35-71(69)79(75)59-25-9-3-10-26-59/h1-50H
InChIKeyPJGCIAYCXHYQNN-UHFFFAOYSA-N
XLogP20.01
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.26
LogP ≤ 520.01
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

2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
1-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953833
1-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953721
2-[4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 159805058
2-[4-[10-(2-cyclohexa-1,5-dien-1-ylphenyl)-9-(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 166907609
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
2-phenyl-1-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 87412319
1-[9,10-diphenyl-6-(2-phenylphenyl)anthracen-2-yl]-2-phenylbenzimidazole
CID 58953744
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534
2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole
CID 175392622
1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole
CID 59010697
2-(2,12-diphenyltetracen-5-yl)-1-phenylbenzimidazole
CID 168827448

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole (CID 20771522) is 1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole is c1ccc(-c2ccccc2-c2c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3c(-c3ccccc3-c3ccccc3)c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc23)cc1.
What is the InChIKey of 1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole?
The InChIKey is PJGCIAYCXHYQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N4/c1-5-21-53(22-6-1)61-29-13-15-31-63(61)73-65-47-45-58(52-39-43-56(44-40-52)76-78-70-34-18-20-36-72(70)80(76)60-27-11-4-12-28-60)50-68(65)74(64-32-16-14-30-62(64)54-23-7-2-8-24-54)66-48-46-57(49-67(66)73)51-37-41-55(42-38-51)75-77-69-33-17-19-35-71(69)79(75)59-25-9-3-10-26-59/h1-50H.
What are the key properties of 1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole?
1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole has a molecular weight of 1019.26 g/mol, XLogP of 20.01, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]benzimidazole is sourced from PubChem (CID 20771522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).