2,2-diphenyloctadecanenitrile

C30H43N — CID 154150395

IUPAC2,2-diphenyloctadecanenitrile
SMILESCCCCCCCCCCCCCCCCC(C#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-30(27-31,28-22-17-15-18-23-28)29-24-19-16-20-25-29/h15-20,22-25H,2-14,21,26H2,1H3
InChIKeyNRTFPKNHNVHLSK-UHFFFAOYSA-N
MW417.68 g/mol
LogP9.37
Rot. Bonds17

About 2,2-diphenyloctadecanenitrile

2,2-diphenyloctadecanenitrile (PubChem CID 154150395) has the molecular formula C30H43N and a molecular weight of 417.68 g/mol. Its IUPAC name is 2,2-diphenyloctadecanenitrile.

Molecular Properties

Compound Name2,2-diphenyloctadecanenitrile
PubChem CID154150395
Molecular FormulaC30H43N
Molecular Weight417.68 g/mol
Exact Mass417.34
IUPAC Name2,2-diphenyloctadecanenitrile
SMILESCCCCCCCCCCCCCCCCC(C#N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-30(27-31,28-22-17-15-18-23-28)29-24-19-16-20-25-29/h15-20,22-25H,2-14,21,26H2,1H3
InChIKeyNRTFPKNHNVHLSK-UHFFFAOYSA-N
XLogP9.37
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.68
LogP ≤ 59.37
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

2-methyl-2-phenyloctanenitrile
CID 161194132
6,6-dimethyl-2,2-diphenylheptanenitrile
CID 122487139
(4-cyano-4,4-diphenylbutyl)-trimethylazanium
CID 134117596
5-butylhexadecan-5-ylbenzene
CID 173084700
15-phenylnonacosan-15-ylbenzene
CID 141310981
2-fluoro-2-phenyldodecan-1-amine
CID 115918070
(2R)-2-phenyl-2-trimethylsilyloxynonanenitrile
CID 129403873
1,1-diphenyldodecan-1-amine
CID 19925745
1,1-difluoroheptylbenzene
CID 12070547
1,1-diphenylhexan-1-amine
CID 20568221
2-phenyldecan-2-amine
CID 63408050
5-phenyltetradecan-5-ol
CID 175223116

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyloctadecanenitrile?
The IUPAC name of 2,2-diphenyloctadecanenitrile (CID 154150395) is 2,2-diphenyloctadecanenitrile.
What is the SMILES notation for 2,2-diphenyloctadecanenitrile?
The canonical SMILES for 2,2-diphenyloctadecanenitrile is CCCCCCCCCCCCCCCCC(C#N)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyloctadecanenitrile?
The InChIKey is NRTFPKNHNVHLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-30(27-31,28-22-17-15-18-23-28)29-24-19-16-20-25-29/h15-20,22-25H,2-14,21,26H2,1H3.
What are the key properties of 2,2-diphenyloctadecanenitrile?
2,2-diphenyloctadecanenitrile has a molecular weight of 417.68 g/mol, XLogP of 9.37, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyloctadecanenitrile is sourced from PubChem (CID 154150395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).