N-cyclohexa-2,4-dien-1-yl-4-(4-cyclohexa-1,3-dien-1-yl-2,3,4a,8a-tetrahydroquinoxalin-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-[4-[6-(cyclohex-2-en-1-ylideneamino)cyclohexa-2,4-dien-1-yl]iminocyclohexen-1-yl]amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine

C76H86N6 — CID 123821348

About N-cyclohexa-2,4-dien-1-yl-4-(4-cyclohexa-1,3-dien-1-yl-2,3,4a,8a-tetrahydroquinoxalin-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-[4-[6-(cyclohex-2-en-1-ylideneamino)cyclohexa-2,4-dien-1-yl]iminocyclohexen-1-yl]amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine

N-cyclohexa-2,4-dien-1-yl-4-(4-cyclohexa-1,3-dien-1-yl-2,3,4a,8a-tetrahydroquinoxalin-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-[4-[6-(cyclohex-2-en-1-ylideneamino)cyclohexa-2,4-dien-1-yl]iminocyclohexen-1-yl]amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine (PubChem CID 123821348) has the molecular formula C76H86N6 and a molecular weight of 1083.57 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-yl-4-(4-cyclohexa-1,3-dien-1-yl-2,3,4a,8a-tetrahydroquinoxalin-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-[4-[6-(cyclohex-2-en-1-ylideneamino)cyclohexa-2,4-dien-1-yl]iminocyclohexen-1-yl]amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

• Compound Name: N-cyclohexa-2,4-dien-1-yl-4-(4-cyclohexa-1,3-dien-1-yl-2,3,4a,8a-tetrahydroquinoxalin-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-[4-[6-(cyclohex-2-en-1-ylideneamino)cyclohexa-2,4-dien-1-yl]iminocyclohexen-1-yl]amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine
• PubChem CID: 123821348
• Molecular Formula: C76H86N6
• Molecular Weight: 1083.57 g/mol
• Exact Mass: 1082.69
• IUPAC Name: N-cyclohexa-2,4-dien-1-yl-4-(4-cyclohexa-1,3-dien-1-yl-2,3,4a,8a-tetrahydroquinoxalin-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-[4-[6-(cyclohex-2-en-1-ylideneamino)cyclohexa-2,4-dien-1-yl]iminocyclohexen-1-yl]amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine
• SMILES: C1=CCCC(N2CCN(C3=CC=C(N(C4C=CC=CC4)C4C=CC(C(C5C=CC=CC5)C(C5=CCC(N(C6=CC/C(=N\C7C=CC=CC7/N=C7/C=CCCC7)CC6)C6C=CC=CC6)C=C5)C5C=CC=CC5)=CC4)CC3)C3C=CC=CC32)=C1
• InChI: InChI=1S/C76H86N6/c1-7-23-57(24-8-1)75(59-39-45-67(46-40-59)81(65-31-15-5-16-32-65)69-49-43-62(44-50-69)78-72-36-20-19-35-71(72)77-61-27-11-3-12-28-61)76(58-25-9-2-10-26-58)60-41-47-68(48-42-60)82(66-33-17-6-18-34-66)70-53-51-64(52-54-70)80-56-55-79(63-29-13-4-14-30-63)73-37-21-22-38-74(73)80/h1-2,4-11,13,15-23,25,27,29,31,33,35-42,45,47,49,51,53,57-58,65-68,71-76H,3,12,14,24,26,28,30,32,34,43-44,46,48,50,52,54-56H2/b77-61-,78-62+
• InChIKey: UGCIVDRRXCKQJT-OMGMDFLGSA-N
• XLogP: 16.20
• TPSA: 37.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1083.57
LogP ≤ 5	16.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-yl-4-(4-cyclohexa-1,3-dien-1-yl-2,3,4a,8a-tetrahydroquinoxalin-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-[4-[6-(cyclohex-2-en-1-ylideneamino)cyclohexa-2,4-dien-1-yl]iminocyclohexen-1-yl]amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine?

The IUPAC name of N-cyclohexa-2,4-dien-1-yl-4-(4-cyclohexa-1,3-dien-1-yl-2,3,4a,8a-tetrahydroquinoxalin-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-[4-[6-(cyclohex-2-en-1-ylideneamino)cyclohexa-2,4-dien-1-yl]iminocyclohexen-1-yl]amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine (CID 123821348) is N-cyclohexa-2,4-dien-1-yl-4-(4-cyclohexa-1,3-dien-1-yl-2,3,4a,8a-tetrahydroquinoxalin-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-[4-[6-(cyclohex-2-en-1-ylideneamino)cyclohexa-2,4-dien-1-yl]iminocyclohexen-1-yl]amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine.

What is the SMILES notation for N-cyclohexa-2,4-dien-1-yl-4-(4-cyclohexa-1,3-dien-1-yl-2,3,4a,8a-tetrahydroquinoxalin-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-[4-[6-(cyclohex-2-en-1-ylideneamino)cyclohexa-2,4-dien-1-yl]iminocyclohexen-1-yl]amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine?

The canonical SMILES for N-cyclohexa-2,4-dien-1-yl-4-(4-cyclohexa-1,3-dien-1-yl-2,3,4a,8a-tetrahydroquinoxalin-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-[4-[6-(cyclohex-2-en-1-ylideneamino)cyclohexa-2,4-dien-1-yl]iminocyclohexen-1-yl]amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine is C1=CCCC(N2CCN(C3=CC=C(N(C4C=CC=CC4)C4C=CC(C(C5C=CC=CC5)C(C5=CCC(N(C6=CC/C(=N\C7C=CC=CC7/N=C7/C=CCCC7)CC6)C6C=CC=CC6)C=C5)C5C=CC=CC5)=CC4)CC3)C3C=CC=CC32)=C1.

What is the InChIKey of N-cyclohexa-2,4-dien-1-yl-4-(4-cyclohexa-1,3-dien-1-yl-2,3,4a,8a-tetrahydroquinoxalin-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-[4-[6-(cyclohex-2-en-1-ylideneamino)cyclohexa-2,4-dien-1-yl]iminocyclohexen-1-yl]amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine?

The InChIKey is UGCIVDRRXCKQJT-OMGMDFLGSA-N. The full InChI is InChI=1S/C76H86N6/c1-7-23-57(24-8-1)75(59-39-45-67(46-40-59)81(65-31-15-5-16-32-65)69-49-43-62(44-50-69)78-72-36-20-19-35-71(72)77-61-27-11-3-12-28-61)76(58-25-9-2-10-26-58)60-41-47-68(48-42-60)82(66-33-17-6-18-34-66)70-53-51-64(52-54-70)80-56-55-79(63-29-13-4-14-30-63)73-37-21-22-38-74(73)80/h1-2,4-11,13,15-23,25,27,29,31,33,35-42,45,47,49,51,53,57-58,65-68,71-76H,3,12,14,24,26,28,30,32,34,43-44,46,48,50,52,54-56H2/b77-61-,78-62+.

What are the key properties of N-cyclohexa-2,4-dien-1-yl-4-(4-cyclohexa-1,3-dien-1-yl-2,3,4a,8a-tetrahydroquinoxalin-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-[4-[6-(cyclohex-2-en-1-ylideneamino)cyclohexa-2,4-dien-1-yl]iminocyclohexen-1-yl]amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine?

N-cyclohexa-2,4-dien-1-yl-4-(4-cyclohexa-1,3-dien-1-yl-2,3,4a,8a-tetrahydroquinoxalin-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-[4-[6-(cyclohex-2-en-1-ylideneamino)cyclohexa-2,4-dien-1-yl]iminocyclohexen-1-yl]amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine has a molecular weight of 1083.57 g/mol, XLogP of 16.20, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexa-2,4-dien-1-yl-4-(4-cyclohexa-1,3-dien-1-yl-2,3,4a,8a-tetrahydroquinoxalin-1-yl)-N-[4-[1,2-di(cyclohexa-2,4-dien-1-yl)-2-[4-[cyclohexa-2,4-dien-1-yl-[4-[6-(cyclohex-2-en-1-ylideneamino)cyclohexa-2,4-dien-1-yl]iminocyclohexen-1-yl]amino]cyclohexa-1,5-dien-1-yl]ethyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 123821348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).