1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)phenyl]-4-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-1-N-(1,2-dihydronaphthalen-1-yl)cyclohexa-1,3-diene-1,4-diamine

C52H50N2 — CID 70897486

About 1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)phenyl]-4-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-1-N-(1,2-dihydronaphthalen-1-yl)cyclohexa-1,3-diene-1,4-diamine

1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)phenyl]-4-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-1-N-(1,2-dihydronaphthalen-1-yl)cyclohexa-1,3-diene-1,4-diamine (PubChem CID 70897486) has the molecular formula C52H50N2 and a molecular weight of 702.99 g/mol. Its IUPAC name is 1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)phenyl]-4-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-1-N-(1,2-dihydronaphthalen-1-yl)cyclohexa-1,3-diene-1,4-diamine.

Molecular Properties

• Compound Name: 1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)phenyl]-4-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-1-N-(1,2-dihydronaphthalen-1-yl)cyclohexa-1,3-diene-1,4-diamine
• PubChem CID: 70897486
• Molecular Formula: C52H50N2
• Molecular Weight: 702.99 g/mol
• Exact Mass: 702.40
• IUPAC Name: 1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)phenyl]-4-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-1-N-(1,2-dihydronaphthalen-1-yl)cyclohexa-1,3-diene-1,4-diamine
• SMILES: C1=CCC(c2ccc(N(C3=CC=C(N(C4=CCCC=C4)C4CC=Cc5ccccc54)CC3)c3ccc(C4=CCC(C5=CCCC=C5)C=C4)cc3)cc2)C=C1
• InChI: InChI=1S/C52H50N2/c1-4-13-39(14-5-1)41-23-25-42(26-24-41)44-29-33-48(34-30-44)53(47-31-27-43(28-32-47)40-15-6-2-7-16-40)49-35-37-50(38-36-49)54(46-19-8-3-9-20-46)52-22-12-18-45-17-10-11-21-51(45)52/h2,4,6-8,10-15,17-21,23,25-35,37,40-41,52H,1,3,5,9,16,22,24,36,38H2
• InChIKey: ZAUAGDYAEDDHRA-UHFFFAOYSA-N
• XLogP: 13.92
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.99
LogP ≤ 5	13.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)phenyl]-4-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-1-N-(1,2-dihydronaphthalen-1-yl)cyclohexa-1,3-diene-1,4-diamine?

The IUPAC name of 1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)phenyl]-4-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-1-N-(1,2-dihydronaphthalen-1-yl)cyclohexa-1,3-diene-1,4-diamine (CID 70897486) is 1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)phenyl]-4-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-1-N-(1,2-dihydronaphthalen-1-yl)cyclohexa-1,3-diene-1,4-diamine.

What is the SMILES notation for 1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)phenyl]-4-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-1-N-(1,2-dihydronaphthalen-1-yl)cyclohexa-1,3-diene-1,4-diamine?

The canonical SMILES for 1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)phenyl]-4-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-1-N-(1,2-dihydronaphthalen-1-yl)cyclohexa-1,3-diene-1,4-diamine is C1=CCC(c2ccc(N(C3=CC=C(N(C4=CCCC=C4)C4CC=Cc5ccccc54)CC3)c3ccc(C4=CCC(C5=CCCC=C5)C=C4)cc3)cc2)C=C1.

What is the InChIKey of 1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)phenyl]-4-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-1-N-(1,2-dihydronaphthalen-1-yl)cyclohexa-1,3-diene-1,4-diamine?

The InChIKey is ZAUAGDYAEDDHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50N2/c1-4-13-39(14-5-1)41-23-25-42(26-24-41)44-29-33-48(34-30-44)53(47-31-27-43(28-32-47)40-15-6-2-7-16-40)49-35-37-50(38-36-49)54(46-19-8-3-9-20-46)52-22-12-18-45-17-10-11-21-51(45)52/h2,4,6-8,10-15,17-21,23,25-35,37,40-41,52H,1,3,5,9,16,22,24,36,38H2.

What are the key properties of 1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)phenyl]-4-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-1-N-(1,2-dihydronaphthalen-1-yl)cyclohexa-1,3-diene-1,4-diamine?

1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)phenyl]-4-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-1-N-(1,2-dihydronaphthalen-1-yl)cyclohexa-1,3-diene-1,4-diamine has a molecular weight of 702.99 g/mol, XLogP of 13.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)phenyl]-4-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-1-N-(1,2-dihydronaphthalen-1-yl)cyclohexa-1,3-diene-1,4-diamine is sourced from PubChem (CID 70897486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).