1-N,4-N-diphenylnaphthalene-1,4-diamine

C22H18N2 — CID 21408089

IUPAC1-N,4-N-diphenylnaphthalene-1,4-diamine
SMILESc1ccc(Nc2ccc(Nc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N2/c1-3-9-17(10-4-1)23-21-15-16-22(20-14-8-7-13-19(20)21)24-18-11-5-2-6-12-18/h1-16,23-24H
InChIKeyVPGCXUPROOEMER-UHFFFAOYSA-N
MW310.40 g/mol
LogP6.33
Rot. Bonds4

About 1-N,4-N-diphenylnaphthalene-1,4-diamine

1-N,4-N-diphenylnaphthalene-1,4-diamine (PubChem CID 21408089) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-N,4-N-diphenylnaphthalene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-diphenylnaphthalene-1,4-diamine
PubChem CID21408089
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name1-N,4-N-diphenylnaphthalene-1,4-diamine
SMILESc1ccc(Nc2ccc(Nc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N2/c1-3-9-17(10-4-1)23-21-15-16-22(20-14-8-7-13-19(20)21)24-18-11-5-2-6-12-18/h1-16,23-24H
InChIKeyVPGCXUPROOEMER-UHFFFAOYSA-N
XLogP6.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-anilinonaphthalene-1-diazonium
CID 19777771
4-anilinonaphthalene-1-sulfonic acid
CID 23333412
4-(4-anilinonaphthalen-1-yl)phenol
CID 145157968
ethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine
CID 145272952
N-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-1-amine
CID 172508818
phenol;N-phenylnaphthalen-1-amine
CID 159146578
benzene;N,2-diphenylaniline
CID 175029921
azane;N-phenylaniline
CID 67074378
4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine
CID 164934429
benzylbenzene;ethane;bis(N-phenylnaphthalen-1-amine)
CID 157375605
N-(4-chlorophenyl)-4-iodonaphthalen-1-amine
CID 170664494
1-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
CID 118429255

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-diphenylnaphthalene-1,4-diamine?
The IUPAC name of 1-N,4-N-diphenylnaphthalene-1,4-diamine (CID 21408089) is 1-N,4-N-diphenylnaphthalene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-diphenylnaphthalene-1,4-diamine?
The canonical SMILES for 1-N,4-N-diphenylnaphthalene-1,4-diamine is c1ccc(Nc2ccc(Nc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-N,4-N-diphenylnaphthalene-1,4-diamine?
The InChIKey is VPGCXUPROOEMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-3-9-17(10-4-1)23-21-15-16-22(20-14-8-7-13-19(20)21)24-18-11-5-2-6-12-18/h1-16,23-24H.
What are the key properties of 1-N,4-N-diphenylnaphthalene-1,4-diamine?
1-N,4-N-diphenylnaphthalene-1,4-diamine has a molecular weight of 310.40 g/mol, XLogP of 6.33, 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-diphenylnaphthalene-1,4-diamine is sourced from PubChem (CID 21408089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).