4-N-cyclohexa-1,5-dien-1-yl-1-N-cyclohexa-2,4-dien-1-yl-4-N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-1-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene-1,4-diamine

C32H38N2 — CID 59523991

IUPAC4-N-cyclohexa-1,5-dien-1-yl-1-N-cyclohexa-2,4-dien-1-yl-4-N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-1-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene-1,4-diamine
SMILESC=C/C(=C\C=C\C)N(C1=CCCC=C1)C1=CC=C(N(C2=CCC(C)C=C2)C2C=CC=CC2)CC1
InChIInChI=1S/C32H38N2/c1-4-6-13-27(5-2)33(28-14-9-7-10-15-28)31-22-24-32(25-23-31)34(29-16-11-8-12-17-29)30-20-18-26(3)19-21-30/h4-6,8-9,11-16,18,20-22,24,26,29H,2,7,10,17,19,23,25H2,1,3H3/b6-4+,27-13+
InChIKeyJRACJTFMIFTYPL-BFRRXCIKSA-N
MW450.67 g/mol
LogP8.40
Rot. Bonds8

About 4-N-cyclohexa-1,5-dien-1-yl-1-N-cyclohexa-2,4-dien-1-yl-4-N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-1-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene-1,4-diamine

4-N-cyclohexa-1,5-dien-1-yl-1-N-cyclohexa-2,4-dien-1-yl-4-N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-1-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene-1,4-diamine (PubChem CID 59523991) has the molecular formula C32H38N2 and a molecular weight of 450.67 g/mol. Its IUPAC name is 4-N-cyclohexa-1,5-dien-1-yl-1-N-cyclohexa-2,4-dien-1-yl-4-N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-1-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexa-1,5-dien-1-yl-1-N-cyclohexa-2,4-dien-1-yl-4-N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-1-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene-1,4-diamine
PubChem CID59523991
Molecular FormulaC32H38N2
Molecular Weight450.67 g/mol
Exact Mass450.30
IUPAC Name4-N-cyclohexa-1,5-dien-1-yl-1-N-cyclohexa-2,4-dien-1-yl-4-N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-1-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene-1,4-diamine
SMILESC=C/C(=C\C=C\C)N(C1=CCCC=C1)C1=CC=C(N(C2=CCC(C)C=C2)C2C=CC=CC2)CC1
InChIInChI=1S/C32H38N2/c1-4-6-13-27(5-2)33(28-14-9-7-10-15-28)31-22-24-32(25-23-31)34(29-16-11-8-12-17-29)30-20-18-26(3)19-21-30/h4-6,8-9,11-16,18,20-22,24,26,29H,2,7,10,17,19,23,25H2,1,3H3/b6-4+,27-13+
InChIKeyJRACJTFMIFTYPL-BFRRXCIKSA-N
XLogP8.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.67
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-N-cyclohexa-1,5-dien-1-yl-1-N-cyclohexa-2,4-dien-1-yl-4-N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-1-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene-1,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexa-1,5-dien-1-yl-1-N-cyclohexa-2,4-dien-1-yl-4-N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-1-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene-1,4-diamine?
The IUPAC name of 4-N-cyclohexa-1,5-dien-1-yl-1-N-cyclohexa-2,4-dien-1-yl-4-N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-1-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene-1,4-diamine (CID 59523991) is 4-N-cyclohexa-1,5-dien-1-yl-1-N-cyclohexa-2,4-dien-1-yl-4-N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-1-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene-1,4-diamine.
What is the SMILES notation for 4-N-cyclohexa-1,5-dien-1-yl-1-N-cyclohexa-2,4-dien-1-yl-4-N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-1-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene-1,4-diamine?
The canonical SMILES for 4-N-cyclohexa-1,5-dien-1-yl-1-N-cyclohexa-2,4-dien-1-yl-4-N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-1-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene-1,4-diamine is C=C/C(=C\C=C\C)N(C1=CCCC=C1)C1=CC=C(N(C2=CCC(C)C=C2)C2C=CC=CC2)CC1.
What is the InChIKey of 4-N-cyclohexa-1,5-dien-1-yl-1-N-cyclohexa-2,4-dien-1-yl-4-N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-1-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene-1,4-diamine?
The InChIKey is JRACJTFMIFTYPL-BFRRXCIKSA-N. The full InChI is InChI=1S/C32H38N2/c1-4-6-13-27(5-2)33(28-14-9-7-10-15-28)31-22-24-32(25-23-31)34(29-16-11-8-12-17-29)30-20-18-26(3)19-21-30/h4-6,8-9,11-16,18,20-22,24,26,29H,2,7,10,17,19,23,25H2,1,3H3/b6-4+,27-13+.
What are the key properties of 4-N-cyclohexa-1,5-dien-1-yl-1-N-cyclohexa-2,4-dien-1-yl-4-N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-1-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene-1,4-diamine?
4-N-cyclohexa-1,5-dien-1-yl-1-N-cyclohexa-2,4-dien-1-yl-4-N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-1-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene-1,4-diamine has a molecular weight of 450.67 g/mol, XLogP of 8.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexa-1,5-dien-1-yl-1-N-cyclohexa-2,4-dien-1-yl-4-N-[(3E,5E)-hepta-1,3,5-trien-3-yl]-1-N-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene-1,4-diamine is sourced from PubChem (CID 59523991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).