4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine

C37H37N — CID 155602159

IUPAC4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine
SMILESCc1cccc(C)c1-c1ccnc(-c2cccc(-c3cccc(CCCCCCc4ccccc4)c3)c2)c1
InChIInChI=1S/C37H37N/c1-28-13-10-14-29(2)37(28)35-23-24-38-36(27-35)34-22-12-21-33(26-34)32-20-11-19-31(25-32)18-7-4-3-6-15-30-16-8-5-9-17-30/h5,8-14,16-17,19-27H,3-4,6-7,15,18H2,1-2H3
InChIKeyQDMLFGVXVPVPHV-UHFFFAOYSA-N
MW495.71 g/mol
LogP10.05
Rot. Bonds10

About 4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine

4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine (PubChem CID 155602159) has the molecular formula C37H37N and a molecular weight of 495.71 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine
PubChem CID155602159
Molecular FormulaC37H37N
Molecular Weight495.71 g/mol
Exact Mass495.29
IUPAC Name4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine
SMILESCc1cccc(C)c1-c1ccnc(-c2cccc(-c3cccc(CCCCCCc4ccccc4)c3)c2)c1
InChIInChI=1S/C37H37N/c1-28-13-10-14-29(2)37(28)35-23-24-38-36(27-35)34-22-12-21-33(26-34)32-20-11-19-31(25-32)18-7-4-3-6-15-30-16-8-5-9-17-30/h5,8-14,16-17,19-27H,3-4,6-7,15,18H2,1-2H3
InChIKeyQDMLFGVXVPVPHV-UHFFFAOYSA-N
XLogP10.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.71
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-2-(3-propylphenyl)pyridine
CID 144632078
4-methyl-2-[2-[3-(6-phenylhexyl)phenyl]-4-pyridinyl]quinazoline
CID 140675988
3-(2,6-dimethylphenyl)-1-[3-[3-(6-phenylhexyl)phenyl]phenyl]isoquinoline
CID 140745251
2-[3-[2,6-dimethyl-4-[3-[3-(6-phenylhexyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2,6-dimethyl-4-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);2-[3-[3-[3-(6-phenylhexyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 157424929
2-[3-(3-butylphenyl)phenyl]pyridine
CID 58401104
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
4-(3-ethylphenyl)-2-phenylpyridine
CID 140601349
2-[3-[2-(2,6-dimethylphenyl)-4-[3-[3-(6-phenylhexyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 155602169
4-(2,6-dimethylphenyl)-2-naphthalen-2-ylpyridine
CID 140733756
5-benzyl-2-[6-[3-[4-(2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]phenol
CID 164742868
2-(9,9-dimethylfluoren-2-yl)-6-(2,6-dimethylphenyl)-4-[3-(6-phenylhexyl)phenyl]quinoline
CID 161262973
2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline
CID 122600309

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine?
The IUPAC name of 4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine (CID 155602159) is 4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine?
The canonical SMILES for 4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine is Cc1cccc(C)c1-c1ccnc(-c2cccc(-c3cccc(CCCCCCc4ccccc4)c3)c2)c1.
What is the InChIKey of 4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine?
The InChIKey is QDMLFGVXVPVPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N/c1-28-13-10-14-29(2)37(28)35-23-24-38-36(27-35)34-22-12-21-33(26-34)32-20-11-19-31(25-32)18-7-4-3-6-15-30-16-8-5-9-17-30/h5,8-14,16-17,19-27H,3-4,6-7,15,18H2,1-2H3.
What are the key properties of 4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine?
4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine has a molecular weight of 495.71 g/mol, XLogP of 10.05, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)-2-[3-[3-(6-phenylhexyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 155602159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).