N,N-diphenylaniline;phenylmethanol

C25H23NO — CID 174958363

IUPACN,N-diphenylaniline;phenylmethanol
SMILESOCc1ccccc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N.C7H8O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6-7-4-2-1-3-5-7/h1-15H;1-5,8H,6H2
InChIKeyKUGYUQPQPUQZOH-UHFFFAOYSA-N
MW353.47 g/mol
LogP6.34
Rot. Bonds4

About N,N-diphenylaniline;phenylmethanol

N,N-diphenylaniline;phenylmethanol (PubChem CID 174958363) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is N,N-diphenylaniline;phenylmethanol.

Molecular Properties

Compound NameN,N-diphenylaniline;phenylmethanol
PubChem CID174958363
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC NameN,N-diphenylaniline;phenylmethanol
SMILESOCc1ccccc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N.C7H8O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6-7-4-2-1-3-5-7/h1-15H;1-5,8H,6H2
InChIKeyKUGYUQPQPUQZOH-UHFFFAOYSA-N
XLogP6.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenylaniline;phenylmethanol?
The IUPAC name of N,N-diphenylaniline;phenylmethanol (CID 174958363) is N,N-diphenylaniline;phenylmethanol.
What is the SMILES notation for N,N-diphenylaniline;phenylmethanol?
The canonical SMILES for N,N-diphenylaniline;phenylmethanol is OCc1ccccc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenylaniline;phenylmethanol?
The InChIKey is KUGYUQPQPUQZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.C7H8O/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6-7-4-2-1-3-5-7/h1-15H;1-5,8H,6H2.
What are the key properties of N,N-diphenylaniline;phenylmethanol?
N,N-diphenylaniline;phenylmethanol has a molecular weight of 353.47 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylaniline;phenylmethanol is sourced from PubChem (CID 174958363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).