N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline

C36H29N — CID 155377108

IUPACN,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cccc4ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C36H29N/c1-26-15-19-30(20-16-26)37(31-21-17-27(2)18-22-31)32-23-24-35(36(25-32)29-9-4-3-5-10-29)34-14-8-12-28-11-6-7-13-33(28)34/h3-25H,1-2H3
InChIKeyKFTYZPYLYHTDPW-UHFFFAOYSA-N
MW475.64 g/mol
LogP10.26
Rot. Bonds5

About N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline

N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline (PubChem CID 155377108) has the molecular formula C36H29N and a molecular weight of 475.64 g/mol. Its IUPAC name is N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline.

Molecular Properties

Compound NameN,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline
PubChem CID155377108
Molecular FormulaC36H29N
Molecular Weight475.64 g/mol
Exact Mass475.23
IUPAC NameN,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cccc4ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C36H29N/c1-26-15-19-30(20-16-26)37(31-21-17-27(2)18-22-31)32-23-24-35(36(25-32)29-9-4-3-5-10-29)34-14-8-12-28-11-6-7-13-33(28)34/h3-25H,1-2H3
InChIKeyKFTYZPYLYHTDPW-UHFFFAOYSA-N
XLogP10.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline
CID 122470453
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 158592515
N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177081043
N,N-bis(4-naphthalen-1-ylphenyl)-3,4-diphenylaniline;N,N-bis(4-naphthalen-1-ylphenyl)-3-phenyl-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 157345301
4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 167184269
4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 166589751
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 164831821
N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline
CID 170054592
4-(5-naphthalen-1-ylanthracen-1-yl)-N,N-diphenylaniline
CID 142716868
N-[4-(2,5-diphenylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(2-naphthalen-2-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 160767900

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline?
The IUPAC name of N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline (CID 155377108) is N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline.
What is the SMILES notation for N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline?
The canonical SMILES for N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cccc4ccccc34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline?
The InChIKey is KFTYZPYLYHTDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N/c1-26-15-19-30(20-16-26)37(31-21-17-27(2)18-22-31)32-23-24-35(36(25-32)29-9-4-3-5-10-29)34-14-8-12-28-11-6-7-13-33(28)34/h3-25H,1-2H3.
What are the key properties of N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline?
N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline has a molecular weight of 475.64 g/mol, XLogP of 10.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline is sourced from PubChem (CID 155377108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).