4-N-(4,4a-dihydronaphthalen-1-yl)-1-N-cyclohexa-1,3-dien-1-yl-1-N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-diene-1,4-diamine

C28H30N2 — CID 58121814

IUPAC4-N-(4,4a-dihydronaphthalen-1-yl)-1-N-cyclohexa-1,3-dien-1-yl-1-N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-diene-1,4-diamine
SMILESC1=CCCC(N(C2=CCCC=C2)C2=CCC(NC3=C4C=CC=CC4CC=C3)C=C2)=C1
InChIInChI=1S/C28H30N2/c1-3-12-24(13-4-1)30(25-14-5-2-6-15-25)26-20-18-23(19-21-26)29-28-17-9-11-22-10-7-8-16-27(22)28/h1,3,5,7-10,12,14-18,20-23,29H,2,4,6,11,13,19H2
InChIKeyGLSAAZHEXRDRDU-UHFFFAOYSA-N
MW394.56 g/mol
LogP6.51
Rot. Bonds5

About 4-N-(4,4a-dihydronaphthalen-1-yl)-1-N-cyclohexa-1,3-dien-1-yl-1-N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-diene-1,4-diamine

4-N-(4,4a-dihydronaphthalen-1-yl)-1-N-cyclohexa-1,3-dien-1-yl-1-N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-diene-1,4-diamine (PubChem CID 58121814) has the molecular formula C28H30N2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-N-(4,4a-dihydronaphthalen-1-yl)-1-N-cyclohexa-1,3-dien-1-yl-1-N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4,4a-dihydronaphthalen-1-yl)-1-N-cyclohexa-1,3-dien-1-yl-1-N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-diene-1,4-diamine
PubChem CID58121814
Molecular FormulaC28H30N2
Molecular Weight394.56 g/mol
Exact Mass394.24
IUPAC Name4-N-(4,4a-dihydronaphthalen-1-yl)-1-N-cyclohexa-1,3-dien-1-yl-1-N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-diene-1,4-diamine
SMILESC1=CCCC(N(C2=CCCC=C2)C2=CCC(NC3=C4C=CC=CC4CC=C3)C=C2)=C1
InChIInChI=1S/C28H30N2/c1-3-12-24(13-4-1)30(25-14-5-2-6-15-25)26-20-18-23(19-21-26)29-28-17-9-11-22-10-7-8-16-27(22)28/h1,3,5,7-10,12,14-18,20-23,29H,2,4,6,11,13,19H2
InChIKeyGLSAAZHEXRDRDU-UHFFFAOYSA-N
XLogP6.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-N-(4,4a-dihydronaphthalen-1-yl)-1-N-cyclohexa-1,3-dien-1-yl-1-N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-diene-1,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4,4a-dihydronaphthalen-1-yl)-1-N-cyclohexa-1,3-dien-1-yl-1-N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-N-(4,4a-dihydronaphthalen-1-yl)-1-N-cyclohexa-1,3-dien-1-yl-1-N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-diene-1,4-diamine (CID 58121814) is 4-N-(4,4a-dihydronaphthalen-1-yl)-1-N-cyclohexa-1,3-dien-1-yl-1-N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-N-(4,4a-dihydronaphthalen-1-yl)-1-N-cyclohexa-1,3-dien-1-yl-1-N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-N-(4,4a-dihydronaphthalen-1-yl)-1-N-cyclohexa-1,3-dien-1-yl-1-N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-diene-1,4-diamine is C1=CCCC(N(C2=CCCC=C2)C2=CCC(NC3=C4C=CC=CC4CC=C3)C=C2)=C1.
What is the InChIKey of 4-N-(4,4a-dihydronaphthalen-1-yl)-1-N-cyclohexa-1,3-dien-1-yl-1-N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-diene-1,4-diamine?
The InChIKey is GLSAAZHEXRDRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2/c1-3-12-24(13-4-1)30(25-14-5-2-6-15-25)26-20-18-23(19-21-26)29-28-17-9-11-22-10-7-8-16-27(22)28/h1,3,5,7-10,12,14-18,20-23,29H,2,4,6,11,13,19H2.
What are the key properties of 4-N-(4,4a-dihydronaphthalen-1-yl)-1-N-cyclohexa-1,3-dien-1-yl-1-N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-diene-1,4-diamine?
4-N-(4,4a-dihydronaphthalen-1-yl)-1-N-cyclohexa-1,3-dien-1-yl-1-N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-diene-1,4-diamine has a molecular weight of 394.56 g/mol, XLogP of 6.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,4a-dihydronaphthalen-1-yl)-1-N-cyclohexa-1,3-dien-1-yl-1-N-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 58121814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).