4-methyl-N,N-bis(4-methyl-3-naphthalen-1-ylphenyl)-3-naphthalen-1-ylaniline

C51H39N — CID 20798399

IUPAC4-methyl-N,N-bis(4-methyl-3-naphthalen-1-ylphenyl)-3-naphthalen-1-ylaniline
SMILESCc1ccc(N(c2ccc(C)c(-c3cccc4ccccc34)c2)c2ccc(C)c(-c3cccc4ccccc34)c2)cc1-c1cccc2ccccc12
InChIInChI=1S/C51H39N/c1-34-25-28-40(31-49(34)46-22-10-16-37-13-4-7-19-43(37)46)52(41-29-26-35(2)50(32-41)47-23-11-17-38-14-5-8-20-44(38)47)42-30-27-36(3)51(33-42)48-24-12-18-39-15-6-9-21-45(39)48/h4-33H,1-3H3
InChIKeyUHGNXSQRWWOXKK-UHFFFAOYSA-N
MW665.88 g/mol
LogP14.54
Rot. Bonds6

About 4-methyl-N,N-bis(4-methyl-3-naphthalen-1-ylphenyl)-3-naphthalen-1-ylaniline

4-methyl-N,N-bis(4-methyl-3-naphthalen-1-ylphenyl)-3-naphthalen-1-ylaniline (PubChem CID 20798399) has the molecular formula C51H39N and a molecular weight of 665.88 g/mol. Its IUPAC name is 4-methyl-N,N-bis(4-methyl-3-naphthalen-1-ylphenyl)-3-naphthalen-1-ylaniline.

Molecular Properties

Compound Name4-methyl-N,N-bis(4-methyl-3-naphthalen-1-ylphenyl)-3-naphthalen-1-ylaniline
PubChem CID20798399
Molecular FormulaC51H39N
Molecular Weight665.88 g/mol
Exact Mass665.31
IUPAC Name4-methyl-N,N-bis(4-methyl-3-naphthalen-1-ylphenyl)-3-naphthalen-1-ylaniline
SMILESCc1ccc(N(c2ccc(C)c(-c3cccc4ccccc34)c2)c2ccc(C)c(-c3cccc4ccccc34)c2)cc1-c1cccc2ccccc12
InChIInChI=1S/C51H39N/c1-34-25-28-40(31-49(34)46-22-10-16-37-13-4-7-19-43(37)46)52(41-29-26-35(2)50(32-41)47-23-11-17-38-14-5-8-20-44(38)47)42-30-27-36(3)51(33-42)48-24-12-18-39-15-6-9-21-45(39)48/h4-33H,1-3H3
InChIKeyUHGNXSQRWWOXKK-UHFFFAOYSA-N
XLogP14.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.88
LogP ≤ 514.54
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,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline
CID 155377108
N-[4-(4-methyl-3-naphthalen-1-ylphenyl)phenyl]-N-phenylpyridin-3-amine
CID 166713985
N-[4-(4-methyl-8-phenylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589694
2-hydroxy-5-methyl-6-naphthalen-1-ylcyclohepta-2,4,6-trien-1-one
CID 142475488
N-methyl-1-(4-methyl-3-naphthalen-1-ylphenyl)methanamine
CID 105408323
4-N-(2-naphthalen-1-ylnaphthalen-1-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 176588231
3-methyl-N,N-bis[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline;4-methyl-N,N-bis[4-methyl-3-(2-methylphenyl)phenyl]-3-(2-methylphenyl)aniline;3-methyl-N-[4-[4-[3-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)anilino]phenyl]phenyl]-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline
CID 158046153
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
4-(5-naphthalen-1-ylanthracen-1-yl)-N,N-diphenylaniline
CID 142716868
4-naphthalen-1-yl-N,N-dinaphthalen-2-ylnaphthalen-1-amine
CID 59372354
1-(2-fluoro-3-methylphenyl)naphthalene
CID 90266560

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-bis(4-methyl-3-naphthalen-1-ylphenyl)-3-naphthalen-1-ylaniline?
The IUPAC name of 4-methyl-N,N-bis(4-methyl-3-naphthalen-1-ylphenyl)-3-naphthalen-1-ylaniline (CID 20798399) is 4-methyl-N,N-bis(4-methyl-3-naphthalen-1-ylphenyl)-3-naphthalen-1-ylaniline.
What is the SMILES notation for 4-methyl-N,N-bis(4-methyl-3-naphthalen-1-ylphenyl)-3-naphthalen-1-ylaniline?
The canonical SMILES for 4-methyl-N,N-bis(4-methyl-3-naphthalen-1-ylphenyl)-3-naphthalen-1-ylaniline is Cc1ccc(N(c2ccc(C)c(-c3cccc4ccccc34)c2)c2ccc(C)c(-c3cccc4ccccc34)c2)cc1-c1cccc2ccccc12.
What is the InChIKey of 4-methyl-N,N-bis(4-methyl-3-naphthalen-1-ylphenyl)-3-naphthalen-1-ylaniline?
The InChIKey is UHGNXSQRWWOXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N/c1-34-25-28-40(31-49(34)46-22-10-16-37-13-4-7-19-43(37)46)52(41-29-26-35(2)50(32-41)47-23-11-17-38-14-5-8-20-44(38)47)42-30-27-36(3)51(33-42)48-24-12-18-39-15-6-9-21-45(39)48/h4-33H,1-3H3.
What are the key properties of 4-methyl-N,N-bis(4-methyl-3-naphthalen-1-ylphenyl)-3-naphthalen-1-ylaniline?
4-methyl-N,N-bis(4-methyl-3-naphthalen-1-ylphenyl)-3-naphthalen-1-ylaniline has a molecular weight of 665.88 g/mol, XLogP of 14.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-bis(4-methyl-3-naphthalen-1-ylphenyl)-3-naphthalen-1-ylaniline is sourced from PubChem (CID 20798399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).