1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine

C33H25N3O — CID 88873158

IUPAC1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine
SMILESCN(c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1)c1cccc(N=O)c1
InChIInChI=1S/C33H25N3O/c1-35(29-14-8-13-26(23-29)34-37)27-19-21-28(22-20-27)36(32-17-6-11-24-9-2-4-15-30(24)32)33-18-7-12-25-10-3-5-16-31(25)33/h2-23H,1H3
InChIKeyKCLUSNPBKDADDE-UHFFFAOYSA-N
MW479.58 g/mol
LogP9.63
Rot. Bonds6

About 1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine

1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine (PubChem CID 88873158) has the molecular formula C33H25N3O and a molecular weight of 479.58 g/mol. Its IUPAC name is 1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine
PubChem CID88873158
Molecular FormulaC33H25N3O
Molecular Weight479.58 g/mol
Exact Mass479.20
IUPAC Name1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine
SMILESCN(c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1)c1cccc(N=O)c1
InChIInChI=1S/C33H25N3O/c1-35(29-14-8-13-26(23-29)34-37)27-19-21-28(22-20-27)36(32-17-6-11-24-9-2-4-15-30(24)32)33-18-7-12-25-10-3-5-16-31(25)33/h2-23H,1H3
InChIKeyKCLUSNPBKDADDE-UHFFFAOYSA-N
XLogP9.63
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-4-N-naphthalen-1-yl-1-N-(3-nitrosophenyl)-4-N-(3-phenylphenyl)benzene-1,4-diamine
CID 88873277
1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine
CID 88873160
1-N-methyl-1-N-(3-nitrosophenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 88873176
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431752
1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-naphthalen-2-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 158106660
1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431746
N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine;N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[4-(N-methyl-4-phenylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 160818621
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine;N-methyl-N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]naphthalen-2-amine
CID 159163258
1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431568
1-N-methyl-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylphenyl)benzene-1,4-diamine
CID 59431943
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-(4-methoxyphenyl)-1-N-methyl-4-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,4-diamine
CID 159017277

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine (CID 88873158) is 1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine is CN(c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1)c1cccc(N=O)c1.
What is the InChIKey of 1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine?
The InChIKey is KCLUSNPBKDADDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3O/c1-35(29-14-8-13-26(23-29)34-37)27-19-21-28(22-20-27)36(32-17-6-11-24-9-2-4-15-30(24)32)33-18-7-12-25-10-3-5-16-31(25)33/h2-23H,1H3.
What are the key properties of 1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine?
1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine has a molecular weight of 479.58 g/mol, XLogP of 9.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-nitrosophenyl)benzene-1,4-diamine is sourced from PubChem (CID 88873158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).