1-N,4-N-dibenzylnaphthalene-1,4-diamine

C24H22N2 — CID 139621317

IUPAC1-N,4-N-dibenzylnaphthalene-1,4-diamine
SMILESc1ccc(CNc2ccc(NCc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H22N2/c1-3-9-19(10-4-1)17-25-23-15-16-24(22-14-8-7-13-21(22)23)26-18-20-11-5-2-6-12-20/h1-16,25-26H,17-18H2
InChIKeySHXYDMXAKHIBCN-UHFFFAOYSA-N
MW338.45 g/mol
LogP6.06
Rot. Bonds6

About 1-N,4-N-dibenzylnaphthalene-1,4-diamine

1-N,4-N-dibenzylnaphthalene-1,4-diamine (PubChem CID 139621317) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-N,4-N-dibenzylnaphthalene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dibenzylnaphthalene-1,4-diamine
PubChem CID139621317
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name1-N,4-N-dibenzylnaphthalene-1,4-diamine
SMILESc1ccc(CNc2ccc(NCc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H22N2/c1-3-9-19(10-4-1)17-25-23-15-16-24(22-14-8-7-13-21(22)23)26-18-20-11-5-2-6-12-20/h1-16,25-26H,17-18H2
InChIKeySHXYDMXAKHIBCN-UHFFFAOYSA-N
XLogP6.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dibenzylnaphthalene-1,4-diamine?
The IUPAC name of 1-N,4-N-dibenzylnaphthalene-1,4-diamine (CID 139621317) is 1-N,4-N-dibenzylnaphthalene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dibenzylnaphthalene-1,4-diamine?
The canonical SMILES for 1-N,4-N-dibenzylnaphthalene-1,4-diamine is c1ccc(CNc2ccc(NCc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-N,4-N-dibenzylnaphthalene-1,4-diamine?
The InChIKey is SHXYDMXAKHIBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-3-9-19(10-4-1)17-25-23-15-16-24(22-14-8-7-13-21(22)23)26-18-20-11-5-2-6-12-20/h1-16,25-26H,17-18H2.
What are the key properties of 1-N,4-N-dibenzylnaphthalene-1,4-diamine?
1-N,4-N-dibenzylnaphthalene-1,4-diamine has a molecular weight of 338.45 g/mol, XLogP of 6.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dibenzylnaphthalene-1,4-diamine is sourced from PubChem (CID 139621317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).