1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine

C26H20N2 — CID 3768802

IUPAC1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
SMILESc1ccc2c(Nc3ccc(Nc4cccc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C26H20N2/c1-3-11-23-19(7-1)9-5-13-25(23)27-21-15-17-22(18-16-21)28-26-14-6-10-20-8-2-4-12-24(20)26/h1-18,27-28H
InChIKeyAOGDNNLIBAUIIX-UHFFFAOYSA-N
MW360.46 g/mol
LogP7.48
Rot. Bonds4

About 1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine

1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine (PubChem CID 3768802) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
PubChem CID3768802
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
SMILESc1ccc2c(Nc3ccc(Nc4cccc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C26H20N2/c1-3-11-23-19(7-1)9-5-13-25(23)27-21-15-17-22(18-16-21)28-26-14-6-10-20-8-2-4-12-24(20)26/h1-18,27-28H
InChIKeyAOGDNNLIBAUIIX-UHFFFAOYSA-N
XLogP7.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl-1-naphthylamine
CID 7013
N-phenyl-2-naphthylamine
CID 8679
Sudan Black B
CID 61336
N,N'-Di(2-naphthyl)-p-phenylenediamine
CID 7142
1-Naphthalenamine, 4-(phenylazo)-
CID 8562
Sudan Red 7B
CID 61396
N,N'-Diphenylbenzidine
CID 68280
1-Naphthalenamine, N-[(1,1,3,3-tetramethylbutyl)phenyl]-
CID 40123
1-Naphthalenamine, N-(dodecylphenyl)-
CID 116650
N,N'-Di-1-naphthalenylthiourea
CID 3034003
(Phenanthren-9-yl)-phenyl-amine
CID 9943327
1,1'-Dinaphthylamine
CID 224480

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine (CID 3768802) is 1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine is c1ccc2c(Nc3ccc(Nc4cccc5ccccc45)cc3)cccc2c1.
What is the InChIKey of 1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?
The InChIKey is AOGDNNLIBAUIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c1-3-11-23-19(7-1)9-5-13-25(23)27-21-15-17-22(18-16-21)28-26-14-6-10-20-8-2-4-12-24(20)26/h1-18,27-28H.
What are the key properties of 1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?
1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine has a molecular weight of 360.46 g/mol, XLogP of 7.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine is sourced from PubChem (CID 3768802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).