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

C54H42N4 — CID 59609405

IUPAC3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-methylpyridine
SMILESCc1ccncc1-c1cc(-c2cnccc2C)cc(-c2cc(-c3ccccc3)c(-c3cc(-c4cnccc4C)cc(-c4cnccc4C)c3)cc2-c2ccccc2)c1
InChIInChI=1S/C54H42N4/c1-35-15-19-55-31-51(35)43-23-41(24-44(27-43)52-32-56-20-16-36(52)2)49-29-48(40-13-9-6-10-14-40)50(30-47(49)39-11-7-5-8-12-39)42-25-45(53-33-57-21-17-37(53)3)28-46(26-42)54-34-58-22-18-38(54)4/h5-34H,1-4H3
InChIKeyFOLKQDGEMCBYGJ-UHFFFAOYSA-N
MW746.96 g/mol
LogP13.84
Rot. Bonds8

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

3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-methylpyridine (PubChem CID 59609405) has the molecular formula C54H42N4 and a molecular weight of 746.96 g/mol. Its IUPAC name is 3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-methylpyridine.

Molecular Properties

Compound Name3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-methylpyridine
PubChem CID59609405
Molecular FormulaC54H42N4
Molecular Weight746.96 g/mol
Exact Mass746.34
IUPAC Name3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-methylpyridine
SMILESCc1ccncc1-c1cc(-c2cnccc2C)cc(-c2cc(-c3ccccc3)c(-c3cc(-c4cnccc4C)cc(-c4cnccc4C)c3)cc2-c2ccccc2)c1
InChIInChI=1S/C54H42N4/c1-35-15-19-55-31-51(35)43-23-41(24-44(27-43)52-32-56-20-16-36(52)2)49-29-48(40-13-9-6-10-14-40)50(30-47(49)39-11-7-5-8-12-39)42-25-45(53-33-57-21-17-37(53)3)28-46(26-42)54-34-58-22-18-38(54)4/h5-34H,1-4H3
InChIKeyFOLKQDGEMCBYGJ-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 3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-methylpyridine?
The IUPAC name of 3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-methylpyridine (CID 59609405) is 3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-methylpyridine.
What is the SMILES notation for 3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-methylpyridine?
The canonical SMILES for 3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-methylpyridine is Cc1ccncc1-c1cc(-c2cnccc2C)cc(-c2cc(-c3ccccc3)c(-c3cc(-c4cnccc4C)cc(-c4cnccc4C)c3)cc2-c2ccccc2)c1.
What is the InChIKey of 3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-methylpyridine?
The InChIKey is FOLKQDGEMCBYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N4/c1-35-15-19-55-31-51(35)43-23-41(24-44(27-43)52-32-56-20-16-36(52)2)49-29-48(40-13-9-6-10-14-40)50(30-47(49)39-11-7-5-8-12-39)42-25-45(53-33-57-21-17-37(53)3)28-46(26-42)54-34-58-22-18-38(54)4/h5-34H,1-4H3.
What are the key properties of 3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-methylpyridine?
3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-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 3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-methylpyridine is sourced from PubChem (CID 59609405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).