1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(1,2,5,6-tetrahydronaphthalen-1-yl)benzene-1,4-diamine

C33H30N2 — CID 143684786

IUPAC1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(1,2,5,6-tetrahydronaphthalen-1-yl)benzene-1,4-diamine
SMILESCN(c1ccc(N(c2ccccc2)C2CC=CC3=C2C=CCC3)cc1)c1cccc2ccccc12
InChIInChI=1S/C33H30N2/c1-34(32-19-9-13-25-11-5-7-17-30(25)32)27-21-23-29(24-22-27)35(28-15-3-2-4-16-28)33-20-10-14-26-12-6-8-18-31(26)33/h2-5,7-11,13-19,21-24,33H,6,12,20H2,1H3
InChIKeyXLMDKFJVRZHJRQ-UHFFFAOYSA-N
MW454.62 g/mol
LogP8.72
Rot. Bonds5

About 1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(1,2,5,6-tetrahydronaphthalen-1-yl)benzene-1,4-diamine

1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(1,2,5,6-tetrahydronaphthalen-1-yl)benzene-1,4-diamine (PubChem CID 143684786) has the molecular formula C33H30N2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(1,2,5,6-tetrahydronaphthalen-1-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(1,2,5,6-tetrahydronaphthalen-1-yl)benzene-1,4-diamine
PubChem CID143684786
Molecular FormulaC33H30N2
Molecular Weight454.62 g/mol
Exact Mass454.24
IUPAC Name1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(1,2,5,6-tetrahydronaphthalen-1-yl)benzene-1,4-diamine
SMILESCN(c1ccc(N(c2ccccc2)C2CC=CC3=C2C=CCC3)cc1)c1cccc2ccccc12
InChIInChI=1S/C33H30N2/c1-34(32-19-9-13-25-11-5-7-17-30(25)32)27-21-23-29(24-22-27)35(28-15-3-2-4-16-28)33-20-10-14-26-12-6-8-18-31(26)33/h2-5,7-11,13-19,21-24,33H,6,12,20H2,1H3
InChIKeyXLMDKFJVRZHJRQ-UHFFFAOYSA-N
XLogP8.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 70877197
1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431568
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431752
N-(4-cyclohexa-1,3-dien-1-ylcyclohepta-1,3,5-trien-1-yl)-N-[4-[2-[4-[4-phenyl-N-(1,2,5,6-tetrahydronaphthalen-1-yl)anilino]phenyl]phenyl]phenyl]-5,6-dihydronaphthalen-1-amine
CID 145093926
1-N-methyl-1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431801
1-N-methyl-4-N,4-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N-naphthalen-1-yl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-1-N-naphthalen-2-yl-4-N,4-N-diphenylbenzene-1,4-diamine
CID 159975441
N-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine
CID 58583928
1-N-methyl-4-N-naphthalen-1-yl-1-N-phenyl-4-N-[4-[3-[4-[[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-prop-2-enylamino]phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine
CID 143543464
1-N-methyl-4-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-1-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-1-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 162038104
bis(N-methyl-N,4-diphenylaniline);N-methyl-N-phenylaniline;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;N-methyl-N-phenylphenanthren-9-amine;N-methyl-N-(4-phenylphenyl)naphthalen-1-amine;N-methyl-N-(4-phenylphenyl)naphthalen-2-amine;N-methyl-N-(4-phenylphenyl)phenanthren-9-amine;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 159782729
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)naphthalen-1-amine
CID 135299557

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(1,2,5,6-tetrahydronaphthalen-1-yl)benzene-1,4-diamine?
The IUPAC name of 1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(1,2,5,6-tetrahydronaphthalen-1-yl)benzene-1,4-diamine (CID 143684786) is 1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(1,2,5,6-tetrahydronaphthalen-1-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(1,2,5,6-tetrahydronaphthalen-1-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(1,2,5,6-tetrahydronaphthalen-1-yl)benzene-1,4-diamine is CN(c1ccc(N(c2ccccc2)C2CC=CC3=C2C=CCC3)cc1)c1cccc2ccccc12.
What is the InChIKey of 1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(1,2,5,6-tetrahydronaphthalen-1-yl)benzene-1,4-diamine?
The InChIKey is XLMDKFJVRZHJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2/c1-34(32-19-9-13-25-11-5-7-17-30(25)32)27-21-23-29(24-22-27)35(28-15-3-2-4-16-28)33-20-10-14-26-12-6-8-18-31(26)33/h2-5,7-11,13-19,21-24,33H,6,12,20H2,1H3.
What are the key properties of 1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(1,2,5,6-tetrahydronaphthalen-1-yl)benzene-1,4-diamine?
1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(1,2,5,6-tetrahydronaphthalen-1-yl)benzene-1,4-diamine has a molecular weight of 454.62 g/mol, XLogP of 8.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(1,2,5,6-tetrahydronaphthalen-1-yl)benzene-1,4-diamine is sourced from PubChem (CID 143684786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).