6-N-methyl-2-N-[4-(3-methylpentan-3-yl)phenyl]-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine

C49H48N2 — CID 144989077

IUPAC6-N-methyl-2-N-[4-(3-methylpentan-3-yl)phenyl]-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine
SMILESCCC(C)(CC)c1ccc(N(c2ccc(C)cc2)c2cc(-c3ccccc3)c3cc(N(C)c4ccc(C)cc4)cc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C49H48N2/c1-7-49(5,8-2)39-23-29-42(30-24-39)51(41-27-21-36(4)22-28-41)44-33-46(38-17-13-10-14-18-38)47-32-43(50(6)40-25-19-35(3)20-26-40)31-45(48(47)34-44)37-15-11-9-12-16-37/h9-34H,7-8H2,1-6H3
InChIKeyYFFWOVIBZKJASL-UHFFFAOYSA-N
MW664.94 g/mol
LogP14.11
Rot. Bonds10

About 6-N-methyl-2-N-[4-(3-methylpentan-3-yl)phenyl]-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine

6-N-methyl-2-N-[4-(3-methylpentan-3-yl)phenyl]-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine (PubChem CID 144989077) has the molecular formula C49H48N2 and a molecular weight of 664.94 g/mol. Its IUPAC name is 6-N-methyl-2-N-[4-(3-methylpentan-3-yl)phenyl]-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-N-[4-(3-methylpentan-3-yl)phenyl]-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine
PubChem CID144989077
Molecular FormulaC49H48N2
Molecular Weight664.94 g/mol
Exact Mass664.38
IUPAC Name6-N-methyl-2-N-[4-(3-methylpentan-3-yl)phenyl]-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine
SMILESCCC(C)(CC)c1ccc(N(c2ccc(C)cc2)c2cc(-c3ccccc3)c3cc(N(C)c4ccc(C)cc4)cc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C49H48N2/c1-7-49(5,8-2)39-23-29-42(30-24-39)51(41-27-21-36(4)22-28-41)44-33-46(38-17-13-10-14-18-38)47-32-43(50(6)40-25-19-35(3)20-26-40)31-45(48(47)34-44)37-15-11-9-12-16-37/h9-34H,7-8H2,1-6H3
InChIKeyYFFWOVIBZKJASL-UHFFFAOYSA-N
XLogP14.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.94
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine
CID 121383915
N-[4-(3-methylpentan-3-yl)phenyl]-N-[4-[4-[4-[4-(N-[4-(3-methylpentan-3-yl)phenyl]-4-phenylanilino)phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-4-phenylaniline
CID 122651481
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448
N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330
1-N-methyl-1-N-[4-[4-[N-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)anilino]-2-phenylphenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine
CID 162023240
2-N,6-N-bis(4-tert-butylphenyl)-4-methyl-2-N,6-N-diphenylnaphthalene-2,6-diamine;2-N,6-N-bis(3,4-dimethylphenyl)-4-ethyl-8-methyl-2-N,6-N-diphenylnaphthalene-2,6-diamine;2-N,6-N-bis(3,4-dimethylphenyl)-4-methyl-2-N,6-N-diphenylnaphthalene-2,6-diamine;4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-bis(4-phenoxyphenyl)-8-phenylnaphthalene-2,6-diamine
CID 158501370
N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline
CID 139326805
N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline
CID 70891344
4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[2-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]propan-2-yl]phenyl]aniline
CID 158713141
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
1-N,6-N-bis(4-methylphenyl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 58323056

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N-[4-(3-methylpentan-3-yl)phenyl]-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine?
The IUPAC name of 6-N-methyl-2-N-[4-(3-methylpentan-3-yl)phenyl]-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine (CID 144989077) is 6-N-methyl-2-N-[4-(3-methylpentan-3-yl)phenyl]-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine.
What is the SMILES notation for 6-N-methyl-2-N-[4-(3-methylpentan-3-yl)phenyl]-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine?
The canonical SMILES for 6-N-methyl-2-N-[4-(3-methylpentan-3-yl)phenyl]-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine is CCC(C)(CC)c1ccc(N(c2ccc(C)cc2)c2cc(-c3ccccc3)c3cc(N(C)c4ccc(C)cc4)cc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 6-N-methyl-2-N-[4-(3-methylpentan-3-yl)phenyl]-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine?
The InChIKey is YFFWOVIBZKJASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H48N2/c1-7-49(5,8-2)39-23-29-42(30-24-39)51(41-27-21-36(4)22-28-41)44-33-46(38-17-13-10-14-18-38)47-32-43(50(6)40-25-19-35(3)20-26-40)31-45(48(47)34-44)37-15-11-9-12-16-37/h9-34H,7-8H2,1-6H3.
What are the key properties of 6-N-methyl-2-N-[4-(3-methylpentan-3-yl)phenyl]-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine?
6-N-methyl-2-N-[4-(3-methylpentan-3-yl)phenyl]-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine has a molecular weight of 664.94 g/mol, XLogP of 14.11, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-[4-(3-methylpentan-3-yl)phenyl]-2-N,6-N-bis(4-methylphenyl)-4,8-diphenylnaphthalene-2,6-diamine is sourced from PubChem (CID 144989077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).