6-tert-butyl-4,8-bis(2-ethylhexyl)-N,N-bis(4-methylphenyl)naphthalen-2-amine

C44H61N — CID 130398300

IUPAC6-tert-butyl-4,8-bis(2-ethylhexyl)-N,N-bis(4-methylphenyl)naphthalen-2-amine
SMILESCCCCC(CC)Cc1cc(C(C)(C)C)cc2c(CC(CC)CCCC)cc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc12
InChIInChI=1S/C44H61N/c1-10-14-16-34(12-3)26-36-28-38(44(7,8)9)30-42-37(27-35(13-4)17-15-11-2)29-41(31-43(36)42)45(39-22-18-32(5)19-23-39)40-24-20-33(6)21-25-40/h18-25,28-31,34-35H,10-17,26-27H2,1-9H3
InChIKeyJWAFUSPMBLLDCT-UHFFFAOYSA-N
MW603.98 g/mol
LogP13.74
Rot. Bonds15

About 6-tert-butyl-4,8-bis(2-ethylhexyl)-N,N-bis(4-methylphenyl)naphthalen-2-amine

6-tert-butyl-4,8-bis(2-ethylhexyl)-N,N-bis(4-methylphenyl)naphthalen-2-amine (PubChem CID 130398300) has the molecular formula C44H61N and a molecular weight of 603.98 g/mol. Its IUPAC name is 6-tert-butyl-4,8-bis(2-ethylhexyl)-N,N-bis(4-methylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-tert-butyl-4,8-bis(2-ethylhexyl)-N,N-bis(4-methylphenyl)naphthalen-2-amine
PubChem CID130398300
Molecular FormulaC44H61N
Molecular Weight603.98 g/mol
Exact Mass603.48
IUPAC Name6-tert-butyl-4,8-bis(2-ethylhexyl)-N,N-bis(4-methylphenyl)naphthalen-2-amine
SMILESCCCCC(CC)Cc1cc(C(C)(C)C)cc2c(CC(CC)CCCC)cc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc12
InChIInChI=1S/C44H61N/c1-10-14-16-34(12-3)26-36-28-38(44(7,8)9)30-42-37(27-35(13-4)17-15-11-2)29-41(31-43(36)42)45(39-22-18-32(5)19-23-39)40-24-20-33(6)21-25-40/h18-25,28-31,34-35H,10-17,26-27H2,1-9H3
InChIKeyJWAFUSPMBLLDCT-UHFFFAOYSA-N
XLogP13.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.98
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-tert-butyl-4,8-bis(2-ethylhexyl)-N,N-bis(4-methylphenyl)naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene
CID 123773607
2-N,6-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4,8-bis(2-ethylhexyl)-2-N,6-N-bis(4-methylphenyl)naphthalene-2,6-diamine;2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-2-N,7-N-bis(4-methylphenyl)-9,10-dioctylphenanthrene-2,7-diamine;4-N,11-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine;2-N,7-N-bis(4-tert-butyl-2,6-dimethylphenyl)-9,9,10,10-tetramethyl-2-N,7-N-bis(4-methylphenyl)phenanthrene-2,7-diamine
CID 160672496
4-N-(2-butyl-4-tert-butyl-6-methylphenyl)-1-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 166998387
1-N,3-N,5-N-tris(4-tert-butylphenyl)-1-N,3-N,5-N-tris(4-methylphenyl)benzene-1,3,5-triamine
CID 22900171
4-[9-[4-[3,6-bis[4-(N-phenylanilino)phenyl]carbazol-9-yl]-2,5-bis(2-ethylhexyl)phenyl]-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 101423790
3-[4,8-bis(2-ethylhexyl)-7-methylnaphthalen-2-yl]-1,5-bis(3,5-ditert-butylphenyl)-7-methylnaphthalene
CID 123153198
ethane;N-[4-(3-ethylheptyl)phenyl]-4-methyl-N-phenylaniline
CID 145203938
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
N,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene
CID 165070173
1,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,7-dimethylnaphthalene;1,5-dibutyl-3,7-dimethylnaphthalene;2,6-dimethyl-1-phenylnaphthalene;1-(2-ethylhexyl)-3,7-dimethylnaphthalene
CID 157295897
6-[4,8-bis(2-ethylhexyl)-6-methylnaphthalen-2-yl]-12-methylchrysene
CID 123741523

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4,8-bis(2-ethylhexyl)-N,N-bis(4-methylphenyl)naphthalen-2-amine?
The IUPAC name of 6-tert-butyl-4,8-bis(2-ethylhexyl)-N,N-bis(4-methylphenyl)naphthalen-2-amine (CID 130398300) is 6-tert-butyl-4,8-bis(2-ethylhexyl)-N,N-bis(4-methylphenyl)naphthalen-2-amine.
What is the SMILES notation for 6-tert-butyl-4,8-bis(2-ethylhexyl)-N,N-bis(4-methylphenyl)naphthalen-2-amine?
The canonical SMILES for 6-tert-butyl-4,8-bis(2-ethylhexyl)-N,N-bis(4-methylphenyl)naphthalen-2-amine is CCCCC(CC)Cc1cc(C(C)(C)C)cc2c(CC(CC)CCCC)cc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc12.
What is the InChIKey of 6-tert-butyl-4,8-bis(2-ethylhexyl)-N,N-bis(4-methylphenyl)naphthalen-2-amine?
The InChIKey is JWAFUSPMBLLDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H61N/c1-10-14-16-34(12-3)26-36-28-38(44(7,8)9)30-42-37(27-35(13-4)17-15-11-2)29-41(31-43(36)42)45(39-22-18-32(5)19-23-39)40-24-20-33(6)21-25-40/h18-25,28-31,34-35H,10-17,26-27H2,1-9H3.
What are the key properties of 6-tert-butyl-4,8-bis(2-ethylhexyl)-N,N-bis(4-methylphenyl)naphthalen-2-amine?
6-tert-butyl-4,8-bis(2-ethylhexyl)-N,N-bis(4-methylphenyl)naphthalen-2-amine has a molecular weight of 603.98 g/mol, XLogP of 13.74, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4,8-bis(2-ethylhexyl)-N,N-bis(4-methylphenyl)naphthalen-2-amine is sourced from PubChem (CID 130398300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).