N,N-dimethyl-1-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methanamine

C31H27N — CID 70653144

IUPACN,N-dimethyl-1-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methanamine
SMILESCN(C)Cc1cccc(-c2ccc3c(-c4cccc(-c5ccccc5)c4)cccc3c2)c1
InChIInChI=1S/C31H27N/c1-32(2)22-23-9-6-12-25(19-23)27-17-18-31-29(21-27)15-8-16-30(31)28-14-7-13-26(20-28)24-10-4-3-5-11-24/h3-21H,22H2,1-2H3
InChIKeyTUWMXRYWASQNRU-UHFFFAOYSA-N
MW413.56 g/mol
LogP7.90
Rot. Bonds5

About N,N-dimethyl-1-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methanamine

N,N-dimethyl-1-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methanamine (PubChem CID 70653144) has the molecular formula C31H27N and a molecular weight of 413.56 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methanamine
PubChem CID70653144
Molecular FormulaC31H27N
Molecular Weight413.56 g/mol
Exact Mass413.21
IUPAC NameN,N-dimethyl-1-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methanamine
SMILESCN(C)Cc1cccc(-c2ccc3c(-c4cccc(-c5ccccc5)c4)cccc3c2)c1
InChIInChI=1S/C31H27N/c1-32(2)22-23-9-6-12-25(19-23)27-17-18-31-29(21-27)15-8-16-30(31)28-14-7-13-26(20-28)24-10-4-3-5-11-24/h3-21H,22H2,1-2H3
InChIKeyTUWMXRYWASQNRU-UHFFFAOYSA-N
XLogP7.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethyl-1-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methanamine (CID 70653144) is N,N-dimethyl-1-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methanamine is CN(C)Cc1cccc(-c2ccc3c(-c4cccc(-c5ccccc5)c4)cccc3c2)c1.
What is the InChIKey of N,N-dimethyl-1-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methanamine?
The InChIKey is TUWMXRYWASQNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N/c1-32(2)22-23-9-6-12-25(19-23)27-17-18-31-29(21-27)15-8-16-30(31)28-14-7-13-26(20-28)24-10-4-3-5-11-24/h3-21H,22H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methanamine?
N,N-dimethyl-1-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methanamine has a molecular weight of 413.56 g/mol, XLogP of 7.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]methanamine is sourced from PubChem (CID 70653144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).