12-benzhydryl-13,13-diphenyltridecan-1-amine

C38H47N — CID 139723736

IUPAC12-benzhydryl-13,13-diphenyltridecan-1-amine
SMILESNCCCCCCCCCCCC(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H47N/c39-31-21-7-5-3-1-2-4-6-20-30-36(37(32-22-12-8-13-23-32)33-24-14-9-15-25-33)38(34-26-16-10-17-27-34)35-28-18-11-19-29-35/h8-19,22-29,36-38H,1-7,20-21,30-31,39H2
InChIKeyZHWAORGYRHHHAX-UHFFFAOYSA-N
MW517.80 g/mol
LogP10.13
Rot. Bonds17

About 12-benzhydryl-13,13-diphenyltridecan-1-amine

12-benzhydryl-13,13-diphenyltridecan-1-amine (PubChem CID 139723736) has the molecular formula C38H47N and a molecular weight of 517.80 g/mol. Its IUPAC name is 12-benzhydryl-13,13-diphenyltridecan-1-amine.

Molecular Properties

Compound Name12-benzhydryl-13,13-diphenyltridecan-1-amine
PubChem CID139723736
Molecular FormulaC38H47N
Molecular Weight517.80 g/mol
Exact Mass517.37
IUPAC Name12-benzhydryl-13,13-diphenyltridecan-1-amine
SMILESNCCCCCCCCCCCC(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H47N/c39-31-21-7-5-3-1-2-4-6-20-30-36(37(32-22-12-8-13-23-32)33-24-14-9-15-25-33)38(34-26-16-10-17-27-34)35-28-18-11-19-29-35/h8-19,22-29,36-38H,1-7,20-21,30-31,39H2
InChIKeyZHWAORGYRHHHAX-UHFFFAOYSA-N
XLogP10.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.80
LogP ≤ 510.13
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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Related Compounds

18-benzhydryl-19,19-diphenylnonadecan-1-amine
CID 139723589
8-benzhydryl-9,9-diphenylnonan-1-amine
CID 139723946
2-benzhydryl-3,3-diphenylpropan-1-amine
CID 139723407
2,6-diaminohexanoic acid;diphenylmethanamine
CID 78006894
5-phenyl-5-pyridin-4-ylpentan-1-amine
CID 117068143
(3S)-7-amino-3-phenylheptanoic acid
CID 70002010
2-phenylpentane-1,5-diamine
CID 22770284
16-phenyl-14-(2-phenylethyl)hexadecan-1-amine
CID 139723789
benzene;hexane-1,6-diamine
CID 159264392
(5-amino-1-phenylpentyl)carbamic acid
CID 121416369
5-phenyl-5-trimethoxysilylpentan-1-amine
CID 175310519
(1R)-1-(4-phenylphenyl)pentane-1,5-diamine
CID 171208421

Frequently Asked Questions

What is the IUPAC name of 12-benzhydryl-13,13-diphenyltridecan-1-amine?
The IUPAC name of 12-benzhydryl-13,13-diphenyltridecan-1-amine (CID 139723736) is 12-benzhydryl-13,13-diphenyltridecan-1-amine.
What is the SMILES notation for 12-benzhydryl-13,13-diphenyltridecan-1-amine?
The canonical SMILES for 12-benzhydryl-13,13-diphenyltridecan-1-amine is NCCCCCCCCCCCC(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 12-benzhydryl-13,13-diphenyltridecan-1-amine?
The InChIKey is ZHWAORGYRHHHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47N/c39-31-21-7-5-3-1-2-4-6-20-30-36(37(32-22-12-8-13-23-32)33-24-14-9-15-25-33)38(34-26-16-10-17-27-34)35-28-18-11-19-29-35/h8-19,22-29,36-38H,1-7,20-21,30-31,39H2.
What are the key properties of 12-benzhydryl-13,13-diphenyltridecan-1-amine?
12-benzhydryl-13,13-diphenyltridecan-1-amine has a molecular weight of 517.80 g/mol, XLogP of 10.13, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-benzhydryl-13,13-diphenyltridecan-1-amine is sourced from PubChem (CID 139723736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).