N-[2-[6-(cyclohexen-1-yl)cyclohexen-1-yl]-2-[(6E)-6-[1-[4-[5-(4-methylcyclohepta-1,3-dien-1-yl)-2H-pyrrol-3-yl]cyclohexa-1,3-dien-1-yl]ethylidene]cyclohexa-2,4-dien-1-yl]ethyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-amine

C50H64N2 — CID 88530133

About N-[2-[6-(cyclohexen-1-yl)cyclohexen-1-yl]-2-[(6E)-6-[1-[4-[5-(4-methylcyclohepta-1,3-dien-1-yl)-2H-pyrrol-3-yl]cyclohexa-1,3-dien-1-yl]ethylidene]cyclohexa-2,4-dien-1-yl]ethyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-amine

N-[2-[6-(cyclohexen-1-yl)cyclohexen-1-yl]-2-[(6E)-6-[1-[4-[5-(4-methylcyclohepta-1,3-dien-1-yl)-2H-pyrrol-3-yl]cyclohexa-1,3-dien-1-yl]ethylidene]cyclohexa-2,4-dien-1-yl]ethyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-amine (PubChem CID 88530133) has the molecular formula C50H64N2 and a molecular weight of 693.08 g/mol. Its IUPAC name is N-[2-[6-(cyclohexen-1-yl)cyclohexen-1-yl]-2-[(6E)-6-[1-[4-[5-(4-methylcyclohepta-1,3-dien-1-yl)-2H-pyrrol-3-yl]cyclohexa-1,3-dien-1-yl]ethylidene]cyclohexa-2,4-dien-1-yl]ethyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[2-[6-(cyclohexen-1-yl)cyclohexen-1-yl]-2-[(6E)-6-[1-[4-[5-(4-methylcyclohepta-1,3-dien-1-yl)-2H-pyrrol-3-yl]cyclohexa-1,3-dien-1-yl]ethylidene]cyclohexa-2,4-dien-1-yl]ethyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-amine
• PubChem CID: 88530133
• Molecular Formula: C50H64N2
• Molecular Weight: 693.08 g/mol
• Exact Mass: 692.51
• IUPAC Name: N-[2-[6-(cyclohexen-1-yl)cyclohexen-1-yl]-2-[(6E)-6-[1-[4-[5-(4-methylcyclohepta-1,3-dien-1-yl)-2H-pyrrol-3-yl]cyclohexa-1,3-dien-1-yl]ethylidene]cyclohexa-2,4-dien-1-yl]ethyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-amine
• SMILES: CC1=CC=C(C2=NCC(C3=CC=C(/C(C)=C4\C=CC=CC4C(CNC4CCCC5=C4CCCC5)C4=CCCCC4C4=CCCCC4)CC3)=C2)CCC1
• InChI: InChI=1S/C50H64N2/c1-35-14-12-19-41(27-26-35)50-32-42(33-51-50)38-30-28-37(29-31-38)36(2)43-20-8-10-23-46(43)48(34-52-49-25-13-18-40-17-6-7-22-45(40)49)47-24-11-9-21-44(47)39-15-4-3-5-16-39/h8,10,15,20,23-24,26-28,30,32,44,46,48-49,52H,3-7,9,11-14,16-19,21-22,25,29,31,33-34H2,1-2H3/b43-36+
• InChIKey: IGLSLCAZGQYBDG-MJUMFWDOSA-N
• XLogP: 12.99
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.08
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(cyclohexen-1-yl)cyclohexen-1-yl]-2-[(6E)-6-[1-[4-[5-(4-methylcyclohepta-1,3-dien-1-yl)-2H-pyrrol-3-yl]cyclohexa-1,3-dien-1-yl]ethylidene]cyclohexa-2,4-dien-1-yl]ethyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-amine?

The IUPAC name of N-[2-[6-(cyclohexen-1-yl)cyclohexen-1-yl]-2-[(6E)-6-[1-[4-[5-(4-methylcyclohepta-1,3-dien-1-yl)-2H-pyrrol-3-yl]cyclohexa-1,3-dien-1-yl]ethylidene]cyclohexa-2,4-dien-1-yl]ethyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-amine (CID 88530133) is N-[2-[6-(cyclohexen-1-yl)cyclohexen-1-yl]-2-[(6E)-6-[1-[4-[5-(4-methylcyclohepta-1,3-dien-1-yl)-2H-pyrrol-3-yl]cyclohexa-1,3-dien-1-yl]ethylidene]cyclohexa-2,4-dien-1-yl]ethyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-amine.

What is the SMILES notation for N-[2-[6-(cyclohexen-1-yl)cyclohexen-1-yl]-2-[(6E)-6-[1-[4-[5-(4-methylcyclohepta-1,3-dien-1-yl)-2H-pyrrol-3-yl]cyclohexa-1,3-dien-1-yl]ethylidene]cyclohexa-2,4-dien-1-yl]ethyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-amine?

The canonical SMILES for N-[2-[6-(cyclohexen-1-yl)cyclohexen-1-yl]-2-[(6E)-6-[1-[4-[5-(4-methylcyclohepta-1,3-dien-1-yl)-2H-pyrrol-3-yl]cyclohexa-1,3-dien-1-yl]ethylidene]cyclohexa-2,4-dien-1-yl]ethyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-amine is CC1=CC=C(C2=NCC(C3=CC=C(/C(C)=C4\C=CC=CC4C(CNC4CCCC5=C4CCCC5)C4=CCCCC4C4=CCCCC4)CC3)=C2)CCC1.

What is the InChIKey of N-[2-[6-(cyclohexen-1-yl)cyclohexen-1-yl]-2-[(6E)-6-[1-[4-[5-(4-methylcyclohepta-1,3-dien-1-yl)-2H-pyrrol-3-yl]cyclohexa-1,3-dien-1-yl]ethylidene]cyclohexa-2,4-dien-1-yl]ethyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-amine?

The InChIKey is IGLSLCAZGQYBDG-MJUMFWDOSA-N. The full InChI is InChI=1S/C50H64N2/c1-35-14-12-19-41(27-26-35)50-32-42(33-51-50)38-30-28-37(29-31-38)36(2)43-20-8-10-23-46(43)48(34-52-49-25-13-18-40-17-6-7-22-45(40)49)47-24-11-9-21-44(47)39-15-4-3-5-16-39/h8,10,15,20,23-24,26-28,30,32,44,46,48-49,52H,3-7,9,11-14,16-19,21-22,25,29,31,33-34H2,1-2H3/b43-36+.

What are the key properties of N-[2-[6-(cyclohexen-1-yl)cyclohexen-1-yl]-2-[(6E)-6-[1-[4-[5-(4-methylcyclohepta-1,3-dien-1-yl)-2H-pyrrol-3-yl]cyclohexa-1,3-dien-1-yl]ethylidene]cyclohexa-2,4-dien-1-yl]ethyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-amine?

N-[2-[6-(cyclohexen-1-yl)cyclohexen-1-yl]-2-[(6E)-6-[1-[4-[5-(4-methylcyclohepta-1,3-dien-1-yl)-2H-pyrrol-3-yl]cyclohexa-1,3-dien-1-yl]ethylidene]cyclohexa-2,4-dien-1-yl]ethyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-amine has a molecular weight of 693.08 g/mol, XLogP of 12.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-(cyclohexen-1-yl)cyclohexen-1-yl]-2-[(6E)-6-[1-[4-[5-(4-methylcyclohepta-1,3-dien-1-yl)-2H-pyrrol-3-yl]cyclohexa-1,3-dien-1-yl]ethylidene]cyclohexa-2,4-dien-1-yl]ethyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-amine is sourced from PubChem (CID 88530133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).