3,4-bis(ethenyl)-7-[(4Z,5E)-4-ethylidene-3-methyl-5-[1-(2-methylphenyl)ethylidene]octan-2-yl]-2,9,9-trimethylfluorene;ethane;(7Z,9Z)-5-ethyl-7-methyl-11-methylidene-5,6-dihydrobenzo[9]annulene;(3Z)-3-methylhexa-1,3,5-triene;1,3-xylene

C74H94 — CID 144614640

About 3,4-bis(ethenyl)-7-[(4Z,5E)-4-ethylidene-3-methyl-5-[1-(2-methylphenyl)ethylidene]octan-2-yl]-2,9,9-trimethylfluorene;ethane;(7Z,9Z)-5-ethyl-7-methyl-11-methylidene-5,6-dihydrobenzo[9]annulene;(3Z)-3-methylhexa-1,3,5-triene;1,3-xylene

3,4-bis(ethenyl)-7-[(4Z,5E)-4-ethylidene-3-methyl-5-[1-(2-methylphenyl)ethylidene]octan-2-yl]-2,9,9-trimethylfluorene;ethane;(7Z,9Z)-5-ethyl-7-methyl-11-methylidene-5,6-dihydrobenzo[9]annulene;(3Z)-3-methylhexa-1,3,5-triene;1,3-xylene (PubChem CID 144614640) has the molecular formula C74H94 and a molecular weight of 983.57 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-7-[(4Z,5E)-4-ethylidene-3-methyl-5-[1-(2-methylphenyl)ethylidene]octan-2-yl]-2,9,9-trimethylfluorene;ethane;(7Z,9Z)-5-ethyl-7-methyl-11-methylidene-5,6-dihydrobenzo[9]annulene;(3Z)-3-methylhexa-1,3,5-triene;1,3-xylene.

Molecular Properties

• Compound Name: 3,4-bis(ethenyl)-7-[(4Z,5E)-4-ethylidene-3-methyl-5-[1-(2-methylphenyl)ethylidene]octan-2-yl]-2,9,9-trimethylfluorene;ethane;(7Z,9Z)-5-ethyl-7-methyl-11-methylidene-5,6-dihydrobenzo[9]annulene;(3Z)-3-methylhexa-1,3,5-triene;1,3-xylene
• PubChem CID: 144614640
• Molecular Formula: C74H94
• Molecular Weight: 983.57 g/mol
• Exact Mass: 982.74
• IUPAC Name: 3,4-bis(ethenyl)-7-[(4Z,5E)-4-ethylidene-3-methyl-5-[1-(2-methylphenyl)ethylidene]octan-2-yl]-2,9,9-trimethylfluorene;ethane;(7Z,9Z)-5-ethyl-7-methyl-11-methylidene-5,6-dihydrobenzo[9]annulene;(3Z)-3-methylhexa-1,3,5-triene;1,3-xylene
• SMILES: C=C/C=C(/C)C=C.C=C1/C=C\C=C(\C)CC(CC)c2ccccc21.C=Cc1c(C)cc2c(c1C=C)-c1ccc(C(C)C(C)C(=C/C)/C(CCC)=C(\C)c3ccccc3C)cc1C2(C)C.CC.Cc1cccc(C)c1
• InChI: InChI=1S/C40H48.C17H20.C8H10.C7H10.C2H6/c1-12-18-35(29(9)34-20-17-16-19-25(34)5)32(14-3)28(8)27(7)30-21-22-36-37(24-30)40(10,11)38-23-26(6)31(13-2)33(15-4)39(36)38;1-4-15-12-13(2)8-7-9-14(3)16-10-5-6-11-17(15)16;1-7-4-3-5-8(2)6-7;1-4-6-7(3)5-2;1-2/h13-17,19-24,27-28H,2,4,12,18H2,1,3,5-11H3;5-11,15H,3-4,12H2,1-2H3;3-6H,1-2H3;4-6H,1-2H2,3H3;1-2H3/b32-14-,35-29+;9-7-,13-8-;;7-6-
• InChIKey: FLRQOYZZMZSFQW-AKDYNGJQSA-N
• XLogP: 22.59
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	983.57
LogP ≤ 5	22.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-7-[(4Z,5E)-4-ethylidene-3-methyl-5-[1-(2-methylphenyl)ethylidene]octan-2-yl]-2,9,9-trimethylfluorene;ethane;(7Z,9Z)-5-ethyl-7-methyl-11-methylidene-5,6-dihydrobenzo[9]annulene;(3Z)-3-methylhexa-1,3,5-triene;1,3-xylene?

The IUPAC name of 3,4-bis(ethenyl)-7-[(4Z,5E)-4-ethylidene-3-methyl-5-[1-(2-methylphenyl)ethylidene]octan-2-yl]-2,9,9-trimethylfluorene;ethane;(7Z,9Z)-5-ethyl-7-methyl-11-methylidene-5,6-dihydrobenzo[9]annulene;(3Z)-3-methylhexa-1,3,5-triene;1,3-xylene (CID 144614640) is 3,4-bis(ethenyl)-7-[(4Z,5E)-4-ethylidene-3-methyl-5-[1-(2-methylphenyl)ethylidene]octan-2-yl]-2,9,9-trimethylfluorene;ethane;(7Z,9Z)-5-ethyl-7-methyl-11-methylidene-5,6-dihydrobenzo[9]annulene;(3Z)-3-methylhexa-1,3,5-triene;1,3-xylene.

What is the SMILES notation for 3,4-bis(ethenyl)-7-[(4Z,5E)-4-ethylidene-3-methyl-5-[1-(2-methylphenyl)ethylidene]octan-2-yl]-2,9,9-trimethylfluorene;ethane;(7Z,9Z)-5-ethyl-7-methyl-11-methylidene-5,6-dihydrobenzo[9]annulene;(3Z)-3-methylhexa-1,3,5-triene;1,3-xylene?

The canonical SMILES for 3,4-bis(ethenyl)-7-[(4Z,5E)-4-ethylidene-3-methyl-5-[1-(2-methylphenyl)ethylidene]octan-2-yl]-2,9,9-trimethylfluorene;ethane;(7Z,9Z)-5-ethyl-7-methyl-11-methylidene-5,6-dihydrobenzo[9]annulene;(3Z)-3-methylhexa-1,3,5-triene;1,3-xylene is C=C/C=C(/C)C=C.C=C1/C=C\C=C(\C)CC(CC)c2ccccc21.C=Cc1c(C)cc2c(c1C=C)-c1ccc(C(C)C(C)C(=C/C)/C(CCC)=C(\C)c3ccccc3C)cc1C2(C)C.CC.Cc1cccc(C)c1.

What is the InChIKey of 3,4-bis(ethenyl)-7-[(4Z,5E)-4-ethylidene-3-methyl-5-[1-(2-methylphenyl)ethylidene]octan-2-yl]-2,9,9-trimethylfluorene;ethane;(7Z,9Z)-5-ethyl-7-methyl-11-methylidene-5,6-dihydrobenzo[9]annulene;(3Z)-3-methylhexa-1,3,5-triene;1,3-xylene?

The InChIKey is FLRQOYZZMZSFQW-AKDYNGJQSA-N. The full InChI is InChI=1S/C40H48.C17H20.C8H10.C7H10.C2H6/c1-12-18-35(29(9)34-20-17-16-19-25(34)5)32(14-3)28(8)27(7)30-21-22-36-37(24-30)40(10,11)38-23-26(6)31(13-2)33(15-4)39(36)38;1-4-15-12-13(2)8-7-9-14(3)16-10-5-6-11-17(15)16;1-7-4-3-5-8(2)6-7;1-4-6-7(3)5-2;1-2/h13-17,19-24,27-28H,2,4,12,18H2,1,3,5-11H3;5-11,15H,3-4,12H2,1-2H3;3-6H,1-2H3;4-6H,1-2H2,3H3;1-2H3/b32-14-,35-29+;9-7-,13-8-;;7-6-;.

What are the key properties of 3,4-bis(ethenyl)-7-[(4Z,5E)-4-ethylidene-3-methyl-5-[1-(2-methylphenyl)ethylidene]octan-2-yl]-2,9,9-trimethylfluorene;ethane;(7Z,9Z)-5-ethyl-7-methyl-11-methylidene-5,6-dihydrobenzo[9]annulene;(3Z)-3-methylhexa-1,3,5-triene;1,3-xylene?

3,4-bis(ethenyl)-7-[(4Z,5E)-4-ethylidene-3-methyl-5-[1-(2-methylphenyl)ethylidene]octan-2-yl]-2,9,9-trimethylfluorene;ethane;(7Z,9Z)-5-ethyl-7-methyl-11-methylidene-5,6-dihydrobenzo[9]annulene;(3Z)-3-methylhexa-1,3,5-triene;1,3-xylene has a molecular weight of 983.57 g/mol, XLogP of 22.59, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-bis(ethenyl)-7-[(4Z,5E)-4-ethylidene-3-methyl-5-[1-(2-methylphenyl)ethylidene]octan-2-yl]-2,9,9-trimethylfluorene;ethane;(7Z,9Z)-5-ethyl-7-methyl-11-methylidene-5,6-dihydrobenzo[9]annulene;(3Z)-3-methylhexa-1,3,5-triene;1,3-xylene is sourced from PubChem (CID 144614640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).