5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine

C54H42N4 — CID 68613180

IUPAC5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine
SMILESCc1ccc(-c2cc(-c3ccc(C)nc3)cc(-c3cc(-c4ccccc4)c(-c4cc(-c5ccc(C)nc5)cc(-c5ccc(C)nc5)c4)cc3-c3ccccc3)c2)cn1
InChIInChI=1S/C54H42N4/c1-35-15-19-41(31-55-35)45-23-46(42-20-16-36(2)56-32-42)26-49(25-45)53-29-52(40-13-9-6-10-14-40)54(30-51(53)39-11-7-5-8-12-39)50-27-47(43-21-17-37(3)57-33-43)24-48(28-50)44-22-18-38(4)58-34-44/h5-34H,1-4H3
InChIKeyRASMJORXGRAMLN-UHFFFAOYSA-N
MW746.96 g/mol
LogP13.84
Rot. Bonds8

About 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine

5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine (PubChem CID 68613180) has the molecular formula C54H42N4 and a molecular weight of 746.96 g/mol. Its IUPAC name is 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine
PubChem CID68613180
Molecular FormulaC54H42N4
Molecular Weight746.96 g/mol
Exact Mass746.34
IUPAC Name5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine
SMILESCc1ccc(-c2cc(-c3ccc(C)nc3)cc(-c3cc(-c4ccccc4)c(-c4cc(-c5ccc(C)nc5)cc(-c5ccc(C)nc5)c4)cc3-c3ccccc3)c2)cn1
InChIInChI=1S/C54H42N4/c1-35-15-19-41(31-55-35)45-23-46(42-20-16-36(2)56-32-42)26-49(25-45)53-29-52(40-13-9-6-10-14-40)54(30-51(53)39-11-7-5-8-12-39)50-27-47(43-21-17-37(3)57-33-43)24-48(28-50)44-22-18-38(4)58-34-44/h5-34H,1-4H3
InChIKeyRASMJORXGRAMLN-UHFFFAOYSA-N
XLogP13.84
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.96
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine?
The IUPAC name of 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine (CID 68613180) is 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine.
What is the SMILES notation for 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine?
The canonical SMILES for 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine is Cc1ccc(-c2cc(-c3ccc(C)nc3)cc(-c3cc(-c4ccccc4)c(-c4cc(-c5ccc(C)nc5)cc(-c5ccc(C)nc5)c4)cc3-c3ccccc3)c2)cn1.
What is the InChIKey of 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine?
The InChIKey is RASMJORXGRAMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N4/c1-35-15-19-41(31-55-35)45-23-46(42-20-16-36(2)56-32-42)26-49(25-45)53-29-52(40-13-9-6-10-14-40)54(30-51(53)39-11-7-5-8-12-39)50-27-47(43-21-17-37(3)57-33-43)24-48(28-50)44-22-18-38(4)58-34-44/h5-34H,1-4H3.
What are the key properties of 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine?
5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine has a molecular weight of 746.96 g/mol, XLogP of 13.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[3,5-bis(6-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(6-methyl-3-pyridinyl)phenyl]-2-methylpyridine is sourced from PubChem (CID 68613180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).