8-benzhydryl-9,9-diphenylnonan-1-amine

C34H39N — CID 139723946

IUPAC8-benzhydryl-9,9-diphenylnonan-1-amine
SMILESNCCCCCCCC(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H39N/c35-27-17-3-1-2-16-26-32(33(28-18-8-4-9-19-28)29-20-10-5-11-21-29)34(30-22-12-6-13-23-30)31-24-14-7-15-25-31/h4-15,18-25,32-34H,1-3,16-17,26-27,35H2
InChIKeyPTKFFXIBNNVBSI-UHFFFAOYSA-N
MW461.69 g/mol
LogP8.57
Rot. Bonds13

About 8-benzhydryl-9,9-diphenylnonan-1-amine

8-benzhydryl-9,9-diphenylnonan-1-amine (PubChem CID 139723946) has the molecular formula C34H39N and a molecular weight of 461.69 g/mol. Its IUPAC name is 8-benzhydryl-9,9-diphenylnonan-1-amine.

Molecular Properties

Compound Name8-benzhydryl-9,9-diphenylnonan-1-amine
PubChem CID139723946
Molecular FormulaC34H39N
Molecular Weight461.69 g/mol
Exact Mass461.31
IUPAC Name8-benzhydryl-9,9-diphenylnonan-1-amine
SMILESNCCCCCCCC(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H39N/c35-27-17-3-1-2-16-26-32(33(28-18-8-4-9-19-28)29-20-10-5-11-21-29)34(30-22-12-6-13-23-30)31-24-14-7-15-25-31/h4-15,18-25,32-34H,1-3,16-17,26-27,35H2
InChIKeyPTKFFXIBNNVBSI-UHFFFAOYSA-N
XLogP8.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.69
LogP ≤ 58.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-benzhydryl-9,9-diphenylnonan-1-amine?
The IUPAC name of 8-benzhydryl-9,9-diphenylnonan-1-amine (CID 139723946) is 8-benzhydryl-9,9-diphenylnonan-1-amine.
What is the SMILES notation for 8-benzhydryl-9,9-diphenylnonan-1-amine?
The canonical SMILES for 8-benzhydryl-9,9-diphenylnonan-1-amine is NCCCCCCCC(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-benzhydryl-9,9-diphenylnonan-1-amine?
The InChIKey is PTKFFXIBNNVBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N/c35-27-17-3-1-2-16-26-32(33(28-18-8-4-9-19-28)29-20-10-5-11-21-29)34(30-22-12-6-13-23-30)31-24-14-7-15-25-31/h4-15,18-25,32-34H,1-3,16-17,26-27,35H2.
What are the key properties of 8-benzhydryl-9,9-diphenylnonan-1-amine?
8-benzhydryl-9,9-diphenylnonan-1-amine has a molecular weight of 461.69 g/mol, XLogP of 8.57, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzhydryl-9,9-diphenylnonan-1-amine is sourced from PubChem (CID 139723946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).