1-[5-(2-benzhydrylphenyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine

C27H27N — CID 175242182

IUPAC1-[5-(2-benzhydrylphenyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1=CC=CC1c1ccccc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27N/c1-28(2)20-23-16-11-19-24(23)25-17-9-10-18-26(25)27(21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-19,24,27H,20H2,1-2H3
InChIKeyXBAMODFNWHGLSY-UHFFFAOYSA-N
MW365.52 g/mol
LogP6.01
Rot. Bonds6

About 1-[5-(2-benzhydrylphenyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine

1-[5-(2-benzhydrylphenyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine (PubChem CID 175242182) has the molecular formula C27H27N and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[5-(2-benzhydrylphenyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(2-benzhydrylphenyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine
PubChem CID175242182
Molecular FormulaC27H27N
Molecular Weight365.52 g/mol
Exact Mass365.21
IUPAC Name1-[5-(2-benzhydrylphenyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1=CC=CC1c1ccccc1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27N/c1-28(2)20-23-16-11-19-24(23)25-17-9-10-18-26(25)27(21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-19,24,27H,20H2,1-2H3
InChIKeyXBAMODFNWHGLSY-UHFFFAOYSA-N
XLogP6.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-benzhydrylphenyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(2-benzhydrylphenyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine (CID 175242182) is 1-[5-(2-benzhydrylphenyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(2-benzhydrylphenyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(2-benzhydrylphenyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine is CN(C)CC1=CC=CC1c1ccccc1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[5-(2-benzhydrylphenyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine?
The InChIKey is XBAMODFNWHGLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N/c1-28(2)20-23-16-11-19-24(23)25-17-9-10-18-26(25)27(21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-19,24,27H,20H2,1-2H3.
What are the key properties of 1-[5-(2-benzhydrylphenyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine?
1-[5-(2-benzhydrylphenyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine has a molecular weight of 365.52 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-benzhydrylphenyl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 175242182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).