4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine

C28H24N2 — CID 121372627

IUPAC4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine
SMILESCc1cc(Nc2ccc3ccccc3c2)c(Nc2ccc3ccccc3c2)cc1C
InChIInChI=1S/C28H24N2/c1-19-15-27(29-25-13-11-21-7-3-5-9-23(21)17-25)28(16-20(19)2)30-26-14-12-22-8-4-6-10-24(22)18-26/h3-18,29-30H,1-2H3
InChIKeyFVGGZXOSGBKDGJ-UHFFFAOYSA-N
MW388.51 g/mol
LogP8.10
Rot. Bonds4

About 4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine

4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine (PubChem CID 121372627) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine
PubChem CID121372627
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC Name4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine
SMILESCc1cc(Nc2ccc3ccccc3c2)c(Nc2ccc3ccccc3c2)cc1C
InChIInChI=1S/C28H24N2/c1-19-15-27(29-25-13-11-21-7-3-5-9-23(21)17-25)28(16-20(19)2)30-26-14-12-22-8-4-6-10-24(22)18-26/h3-18,29-30H,1-2H3
InChIKeyFVGGZXOSGBKDGJ-UHFFFAOYSA-N
XLogP8.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 58.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
N-(3,4-dimethylphenyl)naphthalen-2-amine;N-methylnaphthalen-2-amine
CID 145088499
1-N-ethyl-2-N-naphthalen-2-ylbenzene-1,2-diamine
CID 21321128
N-pentacen-2-ylpentacen-2-amine
CID 91227915
5,6-dimethyl-N-naphthalen-2-ylphenanthren-9-amine
CID 139983910
1-ethyl-N-naphthalen-2-ylnaphthalen-2-amine
CID 174325640
N-(2-fluoro-4-methoxyphenyl)naphthalen-2-amine
CID 82536277
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine
CID 43780291
4-N,4-N-dimethyl-1-N-naphthalen-2-ylbenzene-1,4-diamine
CID 82536280
2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 12541294
3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine
CID 106876946

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine?
The IUPAC name of 4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine (CID 121372627) is 4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine?
The canonical SMILES for 4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine is Cc1cc(Nc2ccc3ccccc3c2)c(Nc2ccc3ccccc3c2)cc1C.
What is the InChIKey of 4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine?
The InChIKey is FVGGZXOSGBKDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2/c1-19-15-27(29-25-13-11-21-7-3-5-9-23(21)17-25)28(16-20(19)2)30-26-14-12-22-8-4-6-10-24(22)18-26/h3-18,29-30H,1-2H3.
What are the key properties of 4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine?
4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine has a molecular weight of 388.51 g/mol, XLogP of 8.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 121372627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).