4-(2,6-diphenyloctan-4-yl)pyridine;methane

C27H37N — CID 157478380

IUPAC4-(2,6-diphenyloctan-4-yl)pyridine;methane
SMILESC.C.CCC(CC(CC(C)c1ccccc1)c1ccncc1)c1ccccc1
InChIInChI=1S/C25H29N.2CH4/c1-3-21(23-12-8-5-9-13-23)19-25(24-14-16-26-17-15-24)18-20(2)22-10-6-4-7-11-22;;/h4-17,20-21,25H,3,18-19H2,1-2H3;2*1H4
InChIKeyBVWDYNULPSYMOS-UHFFFAOYSA-N
MW375.60 g/mol
LogP8.22
Rot. Bonds8

About 4-(2,6-diphenyloctan-4-yl)pyridine;methane

4-(2,6-diphenyloctan-4-yl)pyridine;methane (PubChem CID 157478380) has the molecular formula C27H37N and a molecular weight of 375.60 g/mol. Its IUPAC name is 4-(2,6-diphenyloctan-4-yl)pyridine;methane.

Molecular Properties

Compound Name4-(2,6-diphenyloctan-4-yl)pyridine;methane
PubChem CID157478380
Molecular FormulaC27H37N
Molecular Weight375.60 g/mol
Exact Mass375.29
IUPAC Name4-(2,6-diphenyloctan-4-yl)pyridine;methane
SMILESC.C.CCC(CC(CC(C)c1ccccc1)c1ccncc1)c1ccccc1
InChIInChI=1S/C25H29N.2CH4/c1-3-21(23-12-8-5-9-13-23)19-25(24-14-16-26-17-15-24)18-20(2)22-10-6-4-7-11-22;;/h4-17,20-21,25H,3,18-19H2,1-2H3;2*1H4
InChIKeyBVWDYNULPSYMOS-UHFFFAOYSA-N
XLogP8.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine
CID 18346387
1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
3-[4-(7-phenyl-5-pyridin-4-yloctan-3-yl)pyridin-1-ium-1-yl]propane-1-sulfonic acid
CID 20823483
1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene
CID 143858458
1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene
CID 154824840
1-methoxy-4-(4-phenylhexan-2-yl)benzene
CID 134214893
1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene
CID 59289101
(6-methyl-4-phenylheptan-2-yl)benzene
CID 174190180
magnesium 4-[6-phenyl-4-(4-sulfonatophenyl)octan-2-yl]benzenesulfonate
CID 172972808
2,2-dimethyl-6-phenyl-4-pyridin-4-yloctanoic acid
CID 172972854
ethane;methane;5-methylheptan-3-ylbenzene
CID 168921698
4-(5-phenylhexan-3-yl)benzoic acid
CID 20813389

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diphenyloctan-4-yl)pyridine;methane?
The IUPAC name of 4-(2,6-diphenyloctan-4-yl)pyridine;methane (CID 157478380) is 4-(2,6-diphenyloctan-4-yl)pyridine;methane.
What is the SMILES notation for 4-(2,6-diphenyloctan-4-yl)pyridine;methane?
The canonical SMILES for 4-(2,6-diphenyloctan-4-yl)pyridine;methane is C.C.CCC(CC(CC(C)c1ccccc1)c1ccncc1)c1ccccc1.
What is the InChIKey of 4-(2,6-diphenyloctan-4-yl)pyridine;methane?
The InChIKey is BVWDYNULPSYMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N.2CH4/c1-3-21(23-12-8-5-9-13-23)19-25(24-14-16-26-17-15-24)18-20(2)22-10-6-4-7-11-22;;/h4-17,20-21,25H,3,18-19H2,1-2H3;2*1H4.
What are the key properties of 4-(2,6-diphenyloctan-4-yl)pyridine;methane?
4-(2,6-diphenyloctan-4-yl)pyridine;methane has a molecular weight of 375.60 g/mol, XLogP of 8.22, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diphenyloctan-4-yl)pyridine;methane is sourced from PubChem (CID 157478380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).