N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)-2-naphthalen-1-ylbenzotriazol-5-amine

C34H26N4 — CID 118429864

IUPACN-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)-2-naphthalen-1-ylbenzotriazol-5-amine
SMILESCc1ccc(N(c2ccc3nn(-c4cccc5ccccc45)nc3c2)c2ccc(C)c3ccccc23)cc1
InChIInChI=1S/C34H26N4/c1-23-14-17-26(18-15-23)37(33-21-16-24(2)28-10-5-6-12-30(28)33)27-19-20-31-32(22-27)36-38(35-31)34-13-7-9-25-8-3-4-11-29(25)34/h3-22H,1-2H3
InChIKeySKZYTDVCZHUSEW-UHFFFAOYSA-N
MW490.61 g/mol
LogP8.81
Rot. Bonds4

About N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)-2-naphthalen-1-ylbenzotriazol-5-amine

N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)-2-naphthalen-1-ylbenzotriazol-5-amine (PubChem CID 118429864) has the molecular formula C34H26N4 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)-2-naphthalen-1-ylbenzotriazol-5-amine.

Molecular Properties

Compound NameN-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)-2-naphthalen-1-ylbenzotriazol-5-amine
PubChem CID118429864
Molecular FormulaC34H26N4
Molecular Weight490.61 g/mol
Exact Mass490.22
IUPAC NameN-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)-2-naphthalen-1-ylbenzotriazol-5-amine
SMILESCc1ccc(N(c2ccc3nn(-c4cccc5ccccc45)nc3c2)c2ccc(C)c3ccccc23)cc1
InChIInChI=1S/C34H26N4/c1-23-14-17-26(18-15-23)37(33-21-16-24(2)28-10-5-6-12-30(28)33)27-19-20-31-32(22-27)36-38(35-31)34-13-7-9-25-8-3-4-11-29(25)34/h3-22H,1-2H3
InChIKeySKZYTDVCZHUSEW-UHFFFAOYSA-N
XLogP8.81
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,7-N-bis(4-methylnaphthalen-1-yl)-4-N,7-N-bis(4-methylphenyl)-2-phenylbenzotriazole-4,7-diamine
CID 118429653
6-methyl-N,9-dinaphthalen-1-yl-N-phenylcarbazol-3-amine
CID 58827494
N-(4-methylphenyl)-N-phenylphenanthren-1-amine
CID 140898022
N-(3,4-dimethylphenyl)-N-phenylnaphthalen-1-amine
CID 123561846
N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine
CID 91237868
1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine
CID 20754064
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine
CID 58612530
N-[4-(4-methylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 70891308
N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 158140661
1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 161386948
4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 159675140
N,N-bis(4-methylphenyl)benzo[c]phenanthren-5-amine
CID 58526455

Frequently Asked Questions

What is the IUPAC name of N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)-2-naphthalen-1-ylbenzotriazol-5-amine?
The IUPAC name of N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)-2-naphthalen-1-ylbenzotriazol-5-amine (CID 118429864) is N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)-2-naphthalen-1-ylbenzotriazol-5-amine.
What is the SMILES notation for N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)-2-naphthalen-1-ylbenzotriazol-5-amine?
The canonical SMILES for N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)-2-naphthalen-1-ylbenzotriazol-5-amine is Cc1ccc(N(c2ccc3nn(-c4cccc5ccccc45)nc3c2)c2ccc(C)c3ccccc23)cc1.
What is the InChIKey of N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)-2-naphthalen-1-ylbenzotriazol-5-amine?
The InChIKey is SKZYTDVCZHUSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4/c1-23-14-17-26(18-15-23)37(33-21-16-24(2)28-10-5-6-12-30(28)33)27-19-20-31-32(22-27)36-38(35-31)34-13-7-9-25-8-3-4-11-29(25)34/h3-22H,1-2H3.
What are the key properties of N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)-2-naphthalen-1-ylbenzotriazol-5-amine?
N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)-2-naphthalen-1-ylbenzotriazol-5-amine has a molecular weight of 490.61 g/mol, XLogP of 8.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)-2-naphthalen-1-ylbenzotriazol-5-amine is sourced from PubChem (CID 118429864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).