[(4Z)-4-[(3E,5E)-6-[4-(dimethylamino)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-3,4,5-trimethylhepta-3,5-dien-2-ylidene]-2,3-dimethylcyclopent-2-en-1-ylidene]-dimethylazanium;(2Z)-1-methyl-2-[(3Z,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine;N,N,2,3-tetramethyl-4-[(2E,4E,6Z)-3,4,5,6-tetramethyl-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)octa-2,4,6-trien-2-yl]cyclopenta-1,3-dien-1-amine

C78H123N6+3 — CID 158803012

About [(4Z)-4-[(3E,5E)-6-[4-(dimethylamino)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-3,4,5-trimethylhepta-3,5-dien-2-ylidene]-2,3-dimethylcyclopent-2-en-1-ylidene]-dimethylazanium;(2Z)-1-methyl-2-[(3Z,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine;N,N,2,3-tetramethyl-4-[(2E,4E,6Z)-3,4,5,6-tetramethyl-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)octa-2,4,6-trien-2-yl]cyclopenta-1,3-dien-1-amine

[(4Z)-4-[(3E,5E)-6-[4-(dimethylamino)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-3,4,5-trimethylhepta-3,5-dien-2-ylidene]-2,3-dimethylcyclopent-2-en-1-ylidene]-dimethylazanium;(2Z)-1-methyl-2-[(3Z,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine;N,N,2,3-tetramethyl-4-[(2E,4E,6Z)-3,4,5,6-tetramethyl-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)octa-2,4,6-trien-2-yl]cyclopenta-1,3-dien-1-amine (PubChem CID 158803012) has the molecular formula C78H123N6+3 and a molecular weight of 1144.88 g/mol. Its IUPAC name is [(4Z)-4-[(3E,5E)-6-[4-(dimethylamino)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-3,4,5-trimethylhepta-3,5-dien-2-ylidene]-2,3-dimethylcyclopent-2-en-1-ylidene]-dimethylazanium;(2Z)-1-methyl-2-[(3Z,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine;N,N,2,3-tetramethyl-4-[(2E,4E,6Z)-3,4,5,6-tetramethyl-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)octa-2,4,6-trien-2-yl]cyclopenta-1,3-dien-1-amine.

Molecular Properties

• Compound Name: [(4Z)-4-[(3E,5E)-6-[4-(dimethylamino)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-3,4,5-trimethylhepta-3,5-dien-2-ylidene]-2,3-dimethylcyclopent-2-en-1-ylidene]-dimethylazanium;(2Z)-1-methyl-2-[(3Z,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine;N,N,2,3-tetramethyl-4-[(2E,4E,6Z)-3,4,5,6-tetramethyl-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)octa-2,4,6-trien-2-yl]cyclopenta-1,3-dien-1-amine
• PubChem CID: 158803012
• Molecular Formula: C78H123N6+3
• Molecular Weight: 1144.88 g/mol
• Exact Mass: 1143.98
• IUPAC Name: [(4Z)-4-[(3E,5E)-6-[4-(dimethylamino)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-3,4,5-trimethylhepta-3,5-dien-2-ylidene]-2,3-dimethylcyclopent-2-en-1-ylidene]-dimethylazanium;(2Z)-1-methyl-2-[(3Z,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine;N,N,2,3-tetramethyl-4-[(2E,4E,6Z)-3,4,5,6-tetramethyl-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)octa-2,4,6-trien-2-yl]cyclopenta-1,3-dien-1-amine
• SMILES: C/C(C1=[N+](C)CCC1)=C(C)/C(C)=C(C)/C(C)=C(C)\C(C)=C1\CCCN1C.CC1=C(/C(C)=C(C)/C(C)=C(C)/C(C)=C(/C)C2=[N+](C)CCC2)CC(N(C)C)=C1C.CC1=C(C)/C(=C(C)\C(C)=C(C)\C(C)=C(/C)C2=C(C)C(C)=C(N(C)C)C2)CC1=[N+](C)C
• InChI: InChI=1S/C28H43N2.C26H41N2.C24H39N2/c1-16(17(2)19(4)25-14-27(29(10)11)23(8)21(25)6)18(3)20(5)26-15-28(30(12)13)24(9)22(26)7;1-16(17(2)19(4)22(7)25-13-12-14-28(25)11)18(3)20(5)24-15-26(27(9)10)23(8)21(24)6;1-16(17(2)19(4)21(6)23-12-10-14-25(23)8)18(3)20(5)22(7)24-13-11-15-26(24)9/h14-15H2,1-13H3;12-15H2,1-11H3;10-15H2,1-9H3/q3*+1
• InChIKey: ITSMPNRKMXWMCY-UHFFFAOYSA-N
• XLogP: 19.29
• TPSA: 18.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1144.88
LogP ≤ 5	19.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4Z)-4-[(3E,5E)-6-[4-(dimethylamino)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-3,4,5-trimethylhepta-3,5-dien-2-ylidene]-2,3-dimethylcyclopent-2-en-1-ylidene]-dimethylazanium;(2Z)-1-methyl-2-[(3Z,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine;N,N,2,3-tetramethyl-4-[(2E,4E,6Z)-3,4,5,6-tetramethyl-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)octa-2,4,6-trien-2-yl]cyclopenta-1,3-dien-1-amine?

The IUPAC name of [(4Z)-4-[(3E,5E)-6-[4-(dimethylamino)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-3,4,5-trimethylhepta-3,5-dien-2-ylidene]-2,3-dimethylcyclopent-2-en-1-ylidene]-dimethylazanium;(2Z)-1-methyl-2-[(3Z,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine;N,N,2,3-tetramethyl-4-[(2E,4E,6Z)-3,4,5,6-tetramethyl-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)octa-2,4,6-trien-2-yl]cyclopenta-1,3-dien-1-amine (CID 158803012) is [(4Z)-4-[(3E,5E)-6-[4-(dimethylamino)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-3,4,5-trimethylhepta-3,5-dien-2-ylidene]-2,3-dimethylcyclopent-2-en-1-ylidene]-dimethylazanium;(2Z)-1-methyl-2-[(3Z,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine;N,N,2,3-tetramethyl-4-[(2E,4E,6Z)-3,4,5,6-tetramethyl-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)octa-2,4,6-trien-2-yl]cyclopenta-1,3-dien-1-amine.

What is the SMILES notation for [(4Z)-4-[(3E,5E)-6-[4-(dimethylamino)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-3,4,5-trimethylhepta-3,5-dien-2-ylidene]-2,3-dimethylcyclopent-2-en-1-ylidene]-dimethylazanium;(2Z)-1-methyl-2-[(3Z,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine;N,N,2,3-tetramethyl-4-[(2E,4E,6Z)-3,4,5,6-tetramethyl-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)octa-2,4,6-trien-2-yl]cyclopenta-1,3-dien-1-amine?

The canonical SMILES for [(4Z)-4-[(3E,5E)-6-[4-(dimethylamino)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-3,4,5-trimethylhepta-3,5-dien-2-ylidene]-2,3-dimethylcyclopent-2-en-1-ylidene]-dimethylazanium;(2Z)-1-methyl-2-[(3Z,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine;N,N,2,3-tetramethyl-4-[(2E,4E,6Z)-3,4,5,6-tetramethyl-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)octa-2,4,6-trien-2-yl]cyclopenta-1,3-dien-1-amine is C/C(C1=[N+](C)CCC1)=C(C)/C(C)=C(C)/C(C)=C(C)\C(C)=C1\CCCN1C.CC1=C(/C(C)=C(C)/C(C)=C(C)/C(C)=C(/C)C2=[N+](C)CCC2)CC(N(C)C)=C1C.CC1=C(C)/C(=C(C)\C(C)=C(C)\C(C)=C(/C)C2=C(C)C(C)=C(N(C)C)C2)CC1=[N+](C)C.

What is the InChIKey of [(4Z)-4-[(3E,5E)-6-[4-(dimethylamino)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-3,4,5-trimethylhepta-3,5-dien-2-ylidene]-2,3-dimethylcyclopent-2-en-1-ylidene]-dimethylazanium;(2Z)-1-methyl-2-[(3Z,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine;N,N,2,3-tetramethyl-4-[(2E,4E,6Z)-3,4,5,6-tetramethyl-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)octa-2,4,6-trien-2-yl]cyclopenta-1,3-dien-1-amine?

The InChIKey is ITSMPNRKMXWMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N2.C26H41N2.C24H39N2/c1-16(17(2)19(4)25-14-27(29(10)11)23(8)21(25)6)18(3)20(5)26-15-28(30(12)13)24(9)22(26)7;1-16(17(2)19(4)22(7)25-13-12-14-28(25)11)18(3)20(5)24-15-26(27(9)10)23(8)21(24)6;1-16(17(2)19(4)21(6)23-12-10-14-25(23)8)18(3)20(5)22(7)24-13-11-15-26(24)9/h14-15H2,1-13H3;12-15H2,1-11H3;10-15H2,1-9H3/q3*+1.

What are the key properties of [(4Z)-4-[(3E,5E)-6-[4-(dimethylamino)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-3,4,5-trimethylhepta-3,5-dien-2-ylidene]-2,3-dimethylcyclopent-2-en-1-ylidene]-dimethylazanium;(2Z)-1-methyl-2-[(3Z,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine;N,N,2,3-tetramethyl-4-[(2E,4E,6Z)-3,4,5,6-tetramethyl-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)octa-2,4,6-trien-2-yl]cyclopenta-1,3-dien-1-amine?

[(4Z)-4-[(3E,5E)-6-[4-(dimethylamino)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-3,4,5-trimethylhepta-3,5-dien-2-ylidene]-2,3-dimethylcyclopent-2-en-1-ylidene]-dimethylazanium;(2Z)-1-methyl-2-[(3Z,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine;N,N,2,3-tetramethyl-4-[(2E,4E,6Z)-3,4,5,6-tetramethyl-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)octa-2,4,6-trien-2-yl]cyclopenta-1,3-dien-1-amine has a molecular weight of 1144.88 g/mol, XLogP of 19.29, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(4Z)-4-[(3E,5E)-6-[4-(dimethylamino)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-3,4,5-trimethylhepta-3,5-dien-2-ylidene]-2,3-dimethylcyclopent-2-en-1-ylidene]-dimethylazanium;(2Z)-1-methyl-2-[(3Z,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine;N,N,2,3-tetramethyl-4-[(2E,4E,6Z)-3,4,5,6-tetramethyl-7-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)octa-2,4,6-trien-2-yl]cyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 158803012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).