2-[3-[4-(3,5-dimethylphenyl)phenyl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]pyridine

C32H29N — CID 144815651

IUPAC2-[3-[4-(3,5-dimethylphenyl)phenyl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]pyridine
SMILESC=C(/C=C\C=C/C)c1cc(-c2ccc(-c3cc(C)cc(C)c3)cc2)cc(-c2ccccn2)c1
InChIInChI=1S/C32H29N/c1-5-6-7-10-25(4)28-20-30(22-31(21-28)32-11-8-9-16-33-32)27-14-12-26(13-15-27)29-18-23(2)17-24(3)19-29/h5-22H,4H2,1-3H3/b6-5-,10-7-
InChIKeyKVFSEBSSOUSHSB-ICZHLNMZSA-N
MW427.59 g/mol
LogP8.84
Rot. Bonds6

About 2-[3-[4-(3,5-dimethylphenyl)phenyl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]pyridine

2-[3-[4-(3,5-dimethylphenyl)phenyl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]pyridine (PubChem CID 144815651) has the molecular formula C32H29N and a molecular weight of 427.59 g/mol. Its IUPAC name is 2-[3-[4-(3,5-dimethylphenyl)phenyl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[4-(3,5-dimethylphenyl)phenyl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]pyridine
PubChem CID144815651
Molecular FormulaC32H29N
Molecular Weight427.59 g/mol
Exact Mass427.23
IUPAC Name2-[3-[4-(3,5-dimethylphenyl)phenyl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]pyridine
SMILESC=C(/C=C\C=C/C)c1cc(-c2ccc(-c3cc(C)cc(C)c3)cc2)cc(-c2ccccn2)c1
InChIInChI=1S/C32H29N/c1-5-6-7-10-25(4)28-20-30(22-31(21-28)32-11-8-9-16-33-32)27-14-12-26(13-15-27)29-18-23(2)17-24(3)19-29/h5-22H,4H2,1-3H3/b6-5-,10-7-
InChIKeyKVFSEBSSOUSHSB-ICZHLNMZSA-N
XLogP8.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
CID 123620977
ethane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-pyridin-2-ylpyridine
CID 142487989
2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine
CID 153429686
(2E,4E)-hexa-2,4-dienoic acid;2-phenylpyridine
CID 175021923
ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylbenzene
CID 143259636
2-[5-(4-methylphenyl)-2-[(Z)-prop-1-enyl]phenyl]pyridine
CID 118204402
2-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]pyridine
CID 121313286
3-(4-methylphenyl)-5-pyridin-2-ylpyridine
CID 59510713
4-(3,5-dipyridin-2-ylphenyl)-2,6-bis(4-pyridin-2-ylphenyl)pyridine
CID 118582537
2-(3-methyl-5-pyridin-2-ylphenyl)pyrazine
CID 144553934
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(3,5-dimethylphenyl)phenyl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]pyridine?
The IUPAC name of 2-[3-[4-(3,5-dimethylphenyl)phenyl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]pyridine (CID 144815651) is 2-[3-[4-(3,5-dimethylphenyl)phenyl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[4-(3,5-dimethylphenyl)phenyl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]pyridine?
The canonical SMILES for 2-[3-[4-(3,5-dimethylphenyl)phenyl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]pyridine is C=C(/C=C\C=C/C)c1cc(-c2ccc(-c3cc(C)cc(C)c3)cc2)cc(-c2ccccn2)c1.
What is the InChIKey of 2-[3-[4-(3,5-dimethylphenyl)phenyl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]pyridine?
The InChIKey is KVFSEBSSOUSHSB-ICZHLNMZSA-N. The full InChI is InChI=1S/C32H29N/c1-5-6-7-10-25(4)28-20-30(22-31(21-28)32-11-8-9-16-33-32)27-14-12-26(13-15-27)29-18-23(2)17-24(3)19-29/h5-22H,4H2,1-3H3/b6-5-,10-7-.
What are the key properties of 2-[3-[4-(3,5-dimethylphenyl)phenyl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]pyridine?
2-[3-[4-(3,5-dimethylphenyl)phenyl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]pyridine has a molecular weight of 427.59 g/mol, XLogP of 8.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(3,5-dimethylphenyl)phenyl]-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]pyridine is sourced from PubChem (CID 144815651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).