5-[4-[9,10-diphenyl-6-(1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)anthracen-2-yl]phenyl]-1-phenyl-2-pyridin-2-ylbenzimidazole

C68H44N6 — CID 58953635

IUPAC5-[4-[9,10-diphenyl-6-(1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)anthracen-2-yl]phenyl]-1-phenyl-2-pyridin-2-ylbenzimidazole
SMILESc1ccc(-c2c3ccc(-c4ccc5c(c4)nc(-c4cccnc4)n5-c4ccccc4)cc3c(-c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(c5)nc(-c5ccccn5)n6-c5ccccc5)cc4)cc23)cc1
InChIInChI=1S/C68H44N6/c1-5-16-47(17-6-1)65-57-35-31-50(52-33-37-63-61(43-52)71-67(53-20-15-38-69-44-53)73(63)54-21-9-3-10-22-54)41-59(57)66(48-18-7-2-8-19-48)56-34-30-49(40-58(56)65)45-26-28-46(29-27-45)51-32-36-64-62(42-51)72-68(60-25-13-14-39-70-60)74(64)55-23-11-4-12-24-55/h1-44H
InChIKeyLYDHQKVLRQILCE-UHFFFAOYSA-N
MW945.14 g/mol
LogP17.13
Rot. Bonds9

About 5-[4-[9,10-diphenyl-6-(1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)anthracen-2-yl]phenyl]-1-phenyl-2-pyridin-2-ylbenzimidazole

5-[4-[9,10-diphenyl-6-(1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)anthracen-2-yl]phenyl]-1-phenyl-2-pyridin-2-ylbenzimidazole (PubChem CID 58953635) has the molecular formula C68H44N6 and a molecular weight of 945.14 g/mol. Its IUPAC name is 5-[4-[9,10-diphenyl-6-(1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)anthracen-2-yl]phenyl]-1-phenyl-2-pyridin-2-ylbenzimidazole.

Molecular Properties

Compound Name5-[4-[9,10-diphenyl-6-(1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)anthracen-2-yl]phenyl]-1-phenyl-2-pyridin-2-ylbenzimidazole
PubChem CID58953635
Molecular FormulaC68H44N6
Molecular Weight945.14 g/mol
Exact Mass944.36
IUPAC Name5-[4-[9,10-diphenyl-6-(1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)anthracen-2-yl]phenyl]-1-phenyl-2-pyridin-2-ylbenzimidazole
SMILESc1ccc(-c2c3ccc(-c4ccc5c(c4)nc(-c4cccnc4)n5-c4ccccc4)cc3c(-c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(c5)nc(-c5ccccn5)n6-c5ccccc5)cc4)cc23)cc1
InChIInChI=1S/C68H44N6/c1-5-16-47(17-6-1)65-57-35-31-50(52-33-37-63-61(43-52)71-67(53-20-15-38-69-44-53)73(63)54-21-9-3-10-22-54)41-59(57)66(48-18-7-2-8-19-48)56-34-30-49(40-58(56)65)45-26-28-46(29-27-45)51-32-36-64-62(42-51)72-68(60-25-13-14-39-70-60)74(64)55-23-11-4-12-24-55/h1-44H
InChIKeyLYDHQKVLRQILCE-UHFFFAOYSA-N
XLogP17.13
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.14
LogP ≤ 517.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[9,10-diphenyl-6-(1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)anthracen-2-yl]phenyl]-1-phenyl-2-pyridin-2-ylbenzimidazole?
The IUPAC name of 5-[4-[9,10-diphenyl-6-(1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)anthracen-2-yl]phenyl]-1-phenyl-2-pyridin-2-ylbenzimidazole (CID 58953635) is 5-[4-[9,10-diphenyl-6-(1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)anthracen-2-yl]phenyl]-1-phenyl-2-pyridin-2-ylbenzimidazole.
What is the SMILES notation for 5-[4-[9,10-diphenyl-6-(1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)anthracen-2-yl]phenyl]-1-phenyl-2-pyridin-2-ylbenzimidazole?
The canonical SMILES for 5-[4-[9,10-diphenyl-6-(1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)anthracen-2-yl]phenyl]-1-phenyl-2-pyridin-2-ylbenzimidazole is c1ccc(-c2c3ccc(-c4ccc5c(c4)nc(-c4cccnc4)n5-c4ccccc4)cc3c(-c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(c5)nc(-c5ccccn5)n6-c5ccccc5)cc4)cc23)cc1.
What is the InChIKey of 5-[4-[9,10-diphenyl-6-(1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)anthracen-2-yl]phenyl]-1-phenyl-2-pyridin-2-ylbenzimidazole?
The InChIKey is LYDHQKVLRQILCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N6/c1-5-16-47(17-6-1)65-57-35-31-50(52-33-37-63-61(43-52)71-67(53-20-15-38-69-44-53)73(63)54-21-9-3-10-22-54)41-59(57)66(48-18-7-2-8-19-48)56-34-30-49(40-58(56)65)45-26-28-46(29-27-45)51-32-36-64-62(42-51)72-68(60-25-13-14-39-70-60)74(64)55-23-11-4-12-24-55/h1-44H.
What are the key properties of 5-[4-[9,10-diphenyl-6-(1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)anthracen-2-yl]phenyl]-1-phenyl-2-pyridin-2-ylbenzimidazole?
5-[4-[9,10-diphenyl-6-(1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)anthracen-2-yl]phenyl]-1-phenyl-2-pyridin-2-ylbenzimidazole has a molecular weight of 945.14 g/mol, XLogP of 17.13, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[9,10-diphenyl-6-(1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)anthracen-2-yl]phenyl]-1-phenyl-2-pyridin-2-ylbenzimidazole is sourced from PubChem (CID 58953635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).