2-methyl-4-(3-methylnaphthalen-1-yl)-N,N-bis(4-methylphenyl)naphthalen-1-amine

C36H31N — CID 142508138

IUPAC2-methyl-4-(3-methylnaphthalen-1-yl)-N,N-bis(4-methylphenyl)naphthalen-1-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2c(C)cc(-c3cc(C)cc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C36H31N/c1-24-13-17-29(18-14-24)37(30-19-15-25(2)16-20-30)36-27(4)23-35(32-11-7-8-12-33(32)36)34-22-26(3)21-28-9-5-6-10-31(28)34/h5-23H,1-4H3
InChIKeyCVIRTCKNMIBMOZ-UHFFFAOYSA-N
MW477.65 g/mol
LogP10.36
Rot. Bonds4

About 2-methyl-4-(3-methylnaphthalen-1-yl)-N,N-bis(4-methylphenyl)naphthalen-1-amine

2-methyl-4-(3-methylnaphthalen-1-yl)-N,N-bis(4-methylphenyl)naphthalen-1-amine (PubChem CID 142508138) has the molecular formula C36H31N and a molecular weight of 477.65 g/mol. Its IUPAC name is 2-methyl-4-(3-methylnaphthalen-1-yl)-N,N-bis(4-methylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name2-methyl-4-(3-methylnaphthalen-1-yl)-N,N-bis(4-methylphenyl)naphthalen-1-amine
PubChem CID142508138
Molecular FormulaC36H31N
Molecular Weight477.65 g/mol
Exact Mass477.25
IUPAC Name2-methyl-4-(3-methylnaphthalen-1-yl)-N,N-bis(4-methylphenyl)naphthalen-1-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2c(C)cc(-c3cc(C)cc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C36H31N/c1-24-13-17-29(18-14-24)37(30-19-15-25(2)16-20-30)36-27(4)23-35(32-11-7-8-12-33(32)36)34-22-26(3)21-28-9-5-6-10-31(28)34/h5-23H,1-4H3
InChIKeyCVIRTCKNMIBMOZ-UHFFFAOYSA-N
XLogP10.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine
CID 20730668
9-N,10-N-di(anthracen-9-yl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58612532
5-N,5-N,11-N-tris(4-methylphenyl)-11-N-phenyltetracene-5,11-diamine
CID 59987799
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine
CID 58612530
10-[3-methyl-5-[10-(4-methyl-N-(4-methylphenyl)anilino)anthracen-9-yl]phenyl]-N,N-bis(4-methylphenyl)anthracen-9-amine
CID 158552329
2-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 166990192
10-N-(4-tert-butylphenyl)-9-N,9-N,10-N-tris(4-methylphenyl)anthracene-9,10-diamine
CID 126627134
N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine
CID 20733629
2-methyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]-4-[3-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)naphthalen-1-yl]-N-(4-methylphenyl)naphthalen-1-amine
CID 155108262
9-N,10-N-bis(4-tert-butyl-2,6-dimethylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58371061
9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58371111
1-N,1-N,5-N,5-N-tetrakis(4-methylphenyl)tetracene-1,5-diamine
CID 135260504

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylnaphthalen-1-yl)-N,N-bis(4-methylphenyl)naphthalen-1-amine?
The IUPAC name of 2-methyl-4-(3-methylnaphthalen-1-yl)-N,N-bis(4-methylphenyl)naphthalen-1-amine (CID 142508138) is 2-methyl-4-(3-methylnaphthalen-1-yl)-N,N-bis(4-methylphenyl)naphthalen-1-amine.
What is the SMILES notation for 2-methyl-4-(3-methylnaphthalen-1-yl)-N,N-bis(4-methylphenyl)naphthalen-1-amine?
The canonical SMILES for 2-methyl-4-(3-methylnaphthalen-1-yl)-N,N-bis(4-methylphenyl)naphthalen-1-amine is Cc1ccc(N(c2ccc(C)cc2)c2c(C)cc(-c3cc(C)cc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 2-methyl-4-(3-methylnaphthalen-1-yl)-N,N-bis(4-methylphenyl)naphthalen-1-amine?
The InChIKey is CVIRTCKNMIBMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N/c1-24-13-17-29(18-14-24)37(30-19-15-25(2)16-20-30)36-27(4)23-35(32-11-7-8-12-33(32)36)34-22-26(3)21-28-9-5-6-10-31(28)34/h5-23H,1-4H3.
What are the key properties of 2-methyl-4-(3-methylnaphthalen-1-yl)-N,N-bis(4-methylphenyl)naphthalen-1-amine?
2-methyl-4-(3-methylnaphthalen-1-yl)-N,N-bis(4-methylphenyl)naphthalen-1-amine has a molecular weight of 477.65 g/mol, XLogP of 10.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylnaphthalen-1-yl)-N,N-bis(4-methylphenyl)naphthalen-1-amine is sourced from PubChem (CID 142508138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).