2,6-diphenyl-4-propan-2-ylbenzonitrile

C22H19N — CID 139441487

IUPAC2,6-diphenyl-4-propan-2-ylbenzonitrile
SMILESCC(C)c1cc(-c2ccccc2)c(C#N)c(-c2ccccc2)c1
InChIInChI=1S/C22H19N/c1-16(2)19-13-20(17-9-5-3-6-10-17)22(15-23)21(14-19)18-11-7-4-8-12-18/h3-14,16H,1-2H3
InChIKeyPUDKKTBXEFRQHA-UHFFFAOYSA-N
MW297.40 g/mol
LogP6.02
Rot. Bonds3

About 2,6-diphenyl-4-propan-2-ylbenzonitrile

2,6-diphenyl-4-propan-2-ylbenzonitrile (PubChem CID 139441487) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 2,6-diphenyl-4-propan-2-ylbenzonitrile.

Molecular Properties

Compound Name2,6-diphenyl-4-propan-2-ylbenzonitrile
PubChem CID139441487
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name2,6-diphenyl-4-propan-2-ylbenzonitrile
SMILESCC(C)c1cc(-c2ccccc2)c(C#N)c(-c2ccccc2)c1
InChIInChI=1S/C22H19N/c1-16(2)19-13-20(17-9-5-3-6-10-17)22(15-23)21(14-19)18-11-7-4-8-12-18/h3-14,16H,1-2H3
InChIKeyPUDKKTBXEFRQHA-UHFFFAOYSA-N
XLogP6.02
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-propan-2-ylbenzonitrile?
The IUPAC name of 2,6-diphenyl-4-propan-2-ylbenzonitrile (CID 139441487) is 2,6-diphenyl-4-propan-2-ylbenzonitrile.
What is the SMILES notation for 2,6-diphenyl-4-propan-2-ylbenzonitrile?
The canonical SMILES for 2,6-diphenyl-4-propan-2-ylbenzonitrile is CC(C)c1cc(-c2ccccc2)c(C#N)c(-c2ccccc2)c1.
What is the InChIKey of 2,6-diphenyl-4-propan-2-ylbenzonitrile?
The InChIKey is PUDKKTBXEFRQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-16(2)19-13-20(17-9-5-3-6-10-17)22(15-23)21(14-19)18-11-7-4-8-12-18/h3-14,16H,1-2H3.
What are the key properties of 2,6-diphenyl-4-propan-2-ylbenzonitrile?
2,6-diphenyl-4-propan-2-ylbenzonitrile has a molecular weight of 297.40 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-propan-2-ylbenzonitrile is sourced from PubChem (CID 139441487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).