7-methyl-5-[4-[6-(7-methyl-1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]phenyl]-2-phenyl-1-pyridin-2-ylbenzimidazole

C70H48N6 — CID 58953636

IUPAC7-methyl-5-[4-[6-(7-methyl-1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]phenyl]-2-phenyl-1-pyridin-2-ylbenzimidazole
SMILESCc1cc(-c2ccc3c(-c4ccccc4)c4cc(-c5ccc(-c6cc(C)c7c(c6)nc(-c6ccccc6)n7-c6ccccn6)cc5)ccc4c(-c4ccccc4)c3c2)cc2nc(-c3cccnc3)n(-c3ccccc3)c12
InChIInChI=1S/C70H48N6/c1-45-39-56(43-62-67(45)75(57-25-13-6-14-26-57)70(74-62)54-24-17-36-71-44-54)53-33-35-59-61(41-53)66(50-20-9-4-10-21-50)58-34-32-52(40-60(58)65(59)49-18-7-3-8-19-49)47-28-30-48(31-29-47)55-38-46(2)68-63(42-55)73-69(51-22-11-5-12-23-51)76(68)64-27-15-16-37-72-64/h3-44H,1-2H3
InChIKeyGWLXRQDGCKJIAR-UHFFFAOYSA-N
MW973.20 g/mol
LogP17.75
Rot. Bonds9

About 7-methyl-5-[4-[6-(7-methyl-1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]phenyl]-2-phenyl-1-pyridin-2-ylbenzimidazole

7-methyl-5-[4-[6-(7-methyl-1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]phenyl]-2-phenyl-1-pyridin-2-ylbenzimidazole (PubChem CID 58953636) has the molecular formula C70H48N6 and a molecular weight of 973.20 g/mol. Its IUPAC name is 7-methyl-5-[4-[6-(7-methyl-1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]phenyl]-2-phenyl-1-pyridin-2-ylbenzimidazole.

Molecular Properties

Compound Name7-methyl-5-[4-[6-(7-methyl-1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]phenyl]-2-phenyl-1-pyridin-2-ylbenzimidazole
PubChem CID58953636
Molecular FormulaC70H48N6
Molecular Weight973.20 g/mol
Exact Mass972.39
IUPAC Name7-methyl-5-[4-[6-(7-methyl-1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]phenyl]-2-phenyl-1-pyridin-2-ylbenzimidazole
SMILESCc1cc(-c2ccc3c(-c4ccccc4)c4cc(-c5ccc(-c6cc(C)c7c(c6)nc(-c6ccccc6)n7-c6ccccn6)cc5)ccc4c(-c4ccccc4)c3c2)cc2nc(-c3cccnc3)n(-c3ccccc3)c12
InChIInChI=1S/C70H48N6/c1-45-39-56(43-62-67(45)75(57-25-13-6-14-26-57)70(74-62)54-24-17-36-71-44-54)53-33-35-59-61(41-53)66(50-20-9-4-10-21-50)58-34-32-52(40-60(58)65(59)49-18-7-3-8-19-49)47-28-30-48(31-29-47)55-38-46(2)68-63(42-55)73-69(51-22-11-5-12-23-51)76(68)64-27-15-16-37-72-64/h3-44H,1-2H3
InChIKeyGWLXRQDGCKJIAR-UHFFFAOYSA-N
XLogP17.75
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.20
LogP ≤ 517.75
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 7-methyl-5-[4-[6-(7-methyl-1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]phenyl]-2-phenyl-1-pyridin-2-ylbenzimidazole?
The IUPAC name of 7-methyl-5-[4-[6-(7-methyl-1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]phenyl]-2-phenyl-1-pyridin-2-ylbenzimidazole (CID 58953636) is 7-methyl-5-[4-[6-(7-methyl-1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]phenyl]-2-phenyl-1-pyridin-2-ylbenzimidazole.
What is the SMILES notation for 7-methyl-5-[4-[6-(7-methyl-1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]phenyl]-2-phenyl-1-pyridin-2-ylbenzimidazole?
The canonical SMILES for 7-methyl-5-[4-[6-(7-methyl-1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]phenyl]-2-phenyl-1-pyridin-2-ylbenzimidazole is Cc1cc(-c2ccc3c(-c4ccccc4)c4cc(-c5ccc(-c6cc(C)c7c(c6)nc(-c6ccccc6)n7-c6ccccn6)cc5)ccc4c(-c4ccccc4)c3c2)cc2nc(-c3cccnc3)n(-c3ccccc3)c12.
What is the InChIKey of 7-methyl-5-[4-[6-(7-methyl-1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]phenyl]-2-phenyl-1-pyridin-2-ylbenzimidazole?
The InChIKey is GWLXRQDGCKJIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N6/c1-45-39-56(43-62-67(45)75(57-25-13-6-14-26-57)70(74-62)54-24-17-36-71-44-54)53-33-35-59-61(41-53)66(50-20-9-4-10-21-50)58-34-32-52(40-60(58)65(59)49-18-7-3-8-19-49)47-28-30-48(31-29-47)55-38-46(2)68-63(42-55)73-69(51-22-11-5-12-23-51)76(68)64-27-15-16-37-72-64/h3-44H,1-2H3.
What are the key properties of 7-methyl-5-[4-[6-(7-methyl-1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]phenyl]-2-phenyl-1-pyridin-2-ylbenzimidazole?
7-methyl-5-[4-[6-(7-methyl-1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]phenyl]-2-phenyl-1-pyridin-2-ylbenzimidazole has a molecular weight of 973.20 g/mol, XLogP of 17.75, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[4-[6-(7-methyl-1-phenyl-2-pyridin-3-ylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]phenyl]-2-phenyl-1-pyridin-2-ylbenzimidazole is sourced from PubChem (CID 58953636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).