18-benzhydryl-19,19-diphenylnonadecan-1-amine

C44H59N — CID 139723589

IUPAC18-benzhydryl-19,19-diphenylnonadecan-1-amine
SMILESNCCCCCCCCCCCCCCCCCC(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H59N/c45-37-27-13-11-9-7-5-3-1-2-4-6-8-10-12-26-36-42(43(38-28-18-14-19-29-38)39-30-20-15-21-31-39)44(40-32-22-16-23-33-40)41-34-24-17-25-35-41/h14-25,28-35,42-44H,1-13,26-27,36-37,45H2
InChIKeyGLTYULIIFRNUGM-UHFFFAOYSA-N
MW601.96 g/mol
LogP12.47
Rot. Bonds23

About 18-benzhydryl-19,19-diphenylnonadecan-1-amine

18-benzhydryl-19,19-diphenylnonadecan-1-amine (PubChem CID 139723589) has the molecular formula C44H59N and a molecular weight of 601.96 g/mol. Its IUPAC name is 18-benzhydryl-19,19-diphenylnonadecan-1-amine.

Molecular Properties

Compound Name18-benzhydryl-19,19-diphenylnonadecan-1-amine
PubChem CID139723589
Molecular FormulaC44H59N
Molecular Weight601.96 g/mol
Exact Mass601.46
IUPAC Name18-benzhydryl-19,19-diphenylnonadecan-1-amine
SMILESNCCCCCCCCCCCCCCCCCC(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H59N/c45-37-27-13-11-9-7-5-3-1-2-4-6-8-10-12-26-36-42(43(38-28-18-14-19-29-38)39-30-20-15-21-31-39)44(40-32-22-16-23-33-40)41-34-24-17-25-35-41/h14-25,28-35,42-44H,1-13,26-27,36-37,45H2
InChIKeyGLTYULIIFRNUGM-UHFFFAOYSA-N
XLogP12.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.96
LogP ≤ 512.47
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

8-benzhydryl-9,9-diphenylnonan-1-amine
CID 139723946
12-benzhydryl-13,13-diphenyltridecan-1-amine
CID 139723736
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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 18-benzhydryl-19,19-diphenylnonadecan-1-amine?
The IUPAC name of 18-benzhydryl-19,19-diphenylnonadecan-1-amine (CID 139723589) is 18-benzhydryl-19,19-diphenylnonadecan-1-amine.
What is the SMILES notation for 18-benzhydryl-19,19-diphenylnonadecan-1-amine?
The canonical SMILES for 18-benzhydryl-19,19-diphenylnonadecan-1-amine is NCCCCCCCCCCCCCCCCCC(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 18-benzhydryl-19,19-diphenylnonadecan-1-amine?
The InChIKey is GLTYULIIFRNUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H59N/c45-37-27-13-11-9-7-5-3-1-2-4-6-8-10-12-26-36-42(43(38-28-18-14-19-29-38)39-30-20-15-21-31-39)44(40-32-22-16-23-33-40)41-34-24-17-25-35-41/h14-25,28-35,42-44H,1-13,26-27,36-37,45H2.
What are the key properties of 18-benzhydryl-19,19-diphenylnonadecan-1-amine?
18-benzhydryl-19,19-diphenylnonadecan-1-amine has a molecular weight of 601.96 g/mol, XLogP of 12.47, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-benzhydryl-19,19-diphenylnonadecan-1-amine is sourced from PubChem (CID 139723589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).