2-methyl-N-(3-methylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)naphthalen-1-amine

C30H27N — CID 144799042

IUPAC2-methyl-N-(3-methylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)naphthalen-1-amine
SMILESCc1cccc(N(C2=CC=C(c3ccccc3)CC2)c2c(C)ccc3ccccc23)c1
InChIInChI=1S/C30H27N/c1-22-9-8-13-28(21-22)31(30-23(2)15-16-26-12-6-7-14-29(26)30)27-19-17-25(18-20-27)24-10-4-3-5-11-24/h3-17,19,21H,18,20H2,1-2H3
InChIKeyXIUSSXCPOORFMB-UHFFFAOYSA-N
MW401.55 g/mol
LogP8.36
Rot. Bonds4

About 2-methyl-N-(3-methylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)naphthalen-1-amine

2-methyl-N-(3-methylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)naphthalen-1-amine (PubChem CID 144799042) has the molecular formula C30H27N and a molecular weight of 401.55 g/mol. Its IUPAC name is 2-methyl-N-(3-methylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)naphthalen-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)naphthalen-1-amine
PubChem CID144799042
Molecular FormulaC30H27N
Molecular Weight401.55 g/mol
Exact Mass401.21
IUPAC Name2-methyl-N-(3-methylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)naphthalen-1-amine
SMILESCc1cccc(N(C2=CC=C(c3ccccc3)CC2)c2c(C)ccc3ccccc23)c1
InChIInChI=1S/C30H27N/c1-22-9-8-13-28(21-22)31(30-23(2)15-16-26-12-6-7-14-29(26)30)27-19-17-25(18-20-27)24-10-4-3-5-11-24/h3-17,19,21H,18,20H2,1-2H3
InChIKeyXIUSSXCPOORFMB-UHFFFAOYSA-N
XLogP8.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline
CID 89122821
ethane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-N-phenylnaphthalen-1-amine
CID 145000918
2-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 166990192
9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine
CID 89151841
N-(3-methylphenyl)-N-phenylanthracen-9-amine
CID 22976643
2-methyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 144939242
3-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-N-phenylaniline
CID 70917236
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 158590649
N-[4-[4-[4-(3-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-(3-methylphenyl)naphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 157153333
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 160638191
3-methyl-N-[4-[3-[4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dihydropyridin-6-yl]cyclohexa-1,3-dien-1-yl]-N-phenylaniline
CID 90898964
1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis(2-methyl-5-phenylphenyl)pyrene-1,6-diamine
CID 129062537

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)naphthalen-1-amine?
The IUPAC name of 2-methyl-N-(3-methylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)naphthalen-1-amine (CID 144799042) is 2-methyl-N-(3-methylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)naphthalen-1-amine.
What is the SMILES notation for 2-methyl-N-(3-methylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)naphthalen-1-amine?
The canonical SMILES for 2-methyl-N-(3-methylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)naphthalen-1-amine is Cc1cccc(N(C2=CC=C(c3ccccc3)CC2)c2c(C)ccc3ccccc23)c1.
What is the InChIKey of 2-methyl-N-(3-methylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)naphthalen-1-amine?
The InChIKey is XIUSSXCPOORFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N/c1-22-9-8-13-28(21-22)31(30-23(2)15-16-26-12-6-7-14-29(26)30)27-19-17-25(18-20-27)24-10-4-3-5-11-24/h3-17,19,21H,18,20H2,1-2H3.
What are the key properties of 2-methyl-N-(3-methylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)naphthalen-1-amine?
2-methyl-N-(3-methylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)naphthalen-1-amine has a molecular weight of 401.55 g/mol, XLogP of 8.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)naphthalen-1-amine is sourced from PubChem (CID 144799042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).