3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline

C48H40N2 — CID 90743149

IUPAC3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline
SMILESCc1cccc(Nc2ccc(-c3ccc4c(-c5c(C)ccc6cc(-c7ccc(Nc8cccc(C)c8)cc7)ccc56)c(C)ccc4c3)cc2)c1
InChIInChI=1S/C48H40N2/c1-31-7-5-9-43(27-31)49-41-21-15-35(16-22-41)37-19-25-45-39(29-37)13-11-33(3)47(45)48-34(4)12-14-40-30-38(20-26-46(40)48)36-17-23-42(24-18-36)50-44-10-6-8-32(2)28-44/h5-30,49-50H,1-4H3
InChIKeyBHCMEBDGDIBLSA-UHFFFAOYSA-N
MW644.86 g/mol
LogP13.71
Rot. Bonds7

About 3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline

3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline (PubChem CID 90743149) has the molecular formula C48H40N2 and a molecular weight of 644.86 g/mol. Its IUPAC name is 3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline
PubChem CID90743149
Molecular FormulaC48H40N2
Molecular Weight644.86 g/mol
Exact Mass644.32
IUPAC Name3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline
SMILESCc1cccc(Nc2ccc(-c3ccc4c(-c5c(C)ccc6cc(-c7ccc(Nc8cccc(C)c8)cc7)ccc56)c(C)ccc4c3)cc2)c1
InChIInChI=1S/C48H40N2/c1-31-7-5-9-43(27-31)49-41-21-15-35(16-22-41)37-19-25-45-39(29-37)13-11-33(3)47(45)48-34(4)12-14-40-30-38(20-26-46(40)48)36-17-23-42(24-18-36)50-44-10-6-8-32(2)28-44/h5-30,49-50H,1-4H3
InChIKeyBHCMEBDGDIBLSA-UHFFFAOYSA-N
XLogP13.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.86
LogP ≤ 513.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline 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 3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline?
The IUPAC name of 3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline (CID 90743149) is 3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline.
What is the SMILES notation for 3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline?
The canonical SMILES for 3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline is Cc1cccc(Nc2ccc(-c3ccc4c(-c5c(C)ccc6cc(-c7ccc(Nc8cccc(C)c8)cc7)ccc56)c(C)ccc4c3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline?
The InChIKey is BHCMEBDGDIBLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N2/c1-31-7-5-9-43(27-31)49-41-21-15-35(16-22-41)37-19-25-45-39(29-37)13-11-33(3)47(45)48-34(4)12-14-40-30-38(20-26-46(40)48)36-17-23-42(24-18-36)50-44-10-6-8-32(2)28-44/h5-30,49-50H,1-4H3.
What are the key properties of 3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline?
3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline has a molecular weight of 644.86 g/mol, XLogP of 13.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline is sourced from PubChem (CID 90743149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).