9-[4-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)ethenyl]-4a,8a-dihydronaphthalen-1-yl]-10-[4-[4-[3-[4-[4-[2-[4-[10-[4-[4-[7-methyl-4-methylidene-3-(2-methylphenyl)octa-5,7-dien-3-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-4a,8a-dihydronaphthalen-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-phenylfluoren-9-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene

C136H122 — CID 123784190

About 9-[4-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)ethenyl]-4a,8a-dihydronaphthalen-1-yl]-10-[4-[4-[3-[4-[4-[2-[4-[10-[4-[4-[7-methyl-4-methylidene-3-(2-methylphenyl)octa-5,7-dien-3-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-4a,8a-dihydronaphthalen-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-phenylfluoren-9-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene

9-[4-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)ethenyl]-4a,8a-dihydronaphthalen-1-yl]-10-[4-[4-[3-[4-[4-[2-[4-[10-[4-[4-[7-methyl-4-methylidene-3-(2-methylphenyl)octa-5,7-dien-3-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-4a,8a-dihydronaphthalen-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-phenylfluoren-9-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene (PubChem CID 123784190) has the molecular formula C136H122 and a molecular weight of 1756.47 g/mol. Its IUPAC name is 9-[4-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)ethenyl]-4a,8a-dihydronaphthalen-1-yl]-10-[4-[4-[3-[4-[4-[2-[4-[10-[4-[4-[7-methyl-4-methylidene-3-(2-methylphenyl)octa-5,7-dien-3-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-4a,8a-dihydronaphthalen-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-phenylfluoren-9-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene.

Molecular Properties

• Compound Name: 9-[4-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)ethenyl]-4a,8a-dihydronaphthalen-1-yl]-10-[4-[4-[3-[4-[4-[2-[4-[10-[4-[4-[7-methyl-4-methylidene-3-(2-methylphenyl)octa-5,7-dien-3-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-4a,8a-dihydronaphthalen-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-phenylfluoren-9-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene
• PubChem CID: 123784190
• Molecular Formula: C136H122
• Molecular Weight: 1756.47 g/mol
• Exact Mass: 1754.95
• IUPAC Name: 9-[4-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)ethenyl]-4a,8a-dihydronaphthalen-1-yl]-10-[4-[4-[3-[4-[4-[2-[4-[10-[4-[4-[7-methyl-4-methylidene-3-(2-methylphenyl)octa-5,7-dien-3-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-4a,8a-dihydronaphthalen-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-phenylfluoren-9-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene
• SMILES: C=C(C)C=CC(=C)C(CC)(C1=CC=C(C2=CC=C(C3=c4ccccc4=C(C4=CC=C(C=CC5=CC=C(C6=CC=C(c7ccc8c(c7)-c7ccccc7C8(C7=CC=C(C8=CC=C(C9=c%10ccccc%10=C(C%10=CC=C(C=CC%11=CC=C(C%12=CC=CCC%12)CC%11)C%11C=CC=CC%10%11)C%10C=CC=CC9%10)CC8)CC7)c7ccccc7)CC6)CC5)C5C=CC=CC45)C4C=CC=CC34)CC2)CC1)c1ccccc1C
• InChI: InChI=1S/C136H122/c1-6-135(92(5)50-49-90(2)3,128-47-27-13-29-91(128)4)109-82-75-101(76-83-109)99-67-71-106(72-68-99)131-117-39-18-22-43-121(117)133(122-44-23-19-40-118(122)131)126-87-80-105(113-35-15-17-37-115(113)126)62-56-94-53-59-97(60-54-94)98-63-65-103(66-64-98)108-81-88-130-127(89-108)116-38-26-28-48-129(116)136(130,110-32-11-8-12-33-110)111-84-77-102(78-85-111)100-69-73-107(74-70-100)132-119-41-20-24-45-123(119)134(124-46-25-21-42-120(124)132)125-86-79-104(112-34-14-16-36-114(112)125)61-55-93-51-57-96(58-52-93)95-30-9-7-10-31-95/h7-9,11-30,32-51,53,55-57,59,61-63,65,67,69,71,73,75,77,79-82,84,86-89,112-115,117,119,121,123H,2,5-6,10,31,52,54,58,60,64,66,68,70,72,74,76,78,83,85H2,1,3-4H3
• InChIKey: ALKSFZZETWZEBG-UHFFFAOYSA-N
• XLogP: 30.92
• TPSA: 0.00 Ų
• Rotatable Bonds: 21
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1756.47
LogP ≤ 5	30.92
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 9-[4-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)ethenyl]-4a,8a-dihydronaphthalen-1-yl]-10-[4-[4-[3-[4-[4-[2-[4-[10-[4-[4-[7-methyl-4-methylidene-3-(2-methylphenyl)octa-5,7-dien-3-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-4a,8a-dihydronaphthalen-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-phenylfluoren-9-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene?

The IUPAC name of 9-[4-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)ethenyl]-4a,8a-dihydronaphthalen-1-yl]-10-[4-[4-[3-[4-[4-[2-[4-[10-[4-[4-[7-methyl-4-methylidene-3-(2-methylphenyl)octa-5,7-dien-3-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-4a,8a-dihydronaphthalen-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-phenylfluoren-9-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene (CID 123784190) is 9-[4-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)ethenyl]-4a,8a-dihydronaphthalen-1-yl]-10-[4-[4-[3-[4-[4-[2-[4-[10-[4-[4-[7-methyl-4-methylidene-3-(2-methylphenyl)octa-5,7-dien-3-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-4a,8a-dihydronaphthalen-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-phenylfluoren-9-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene.

What is the SMILES notation for 9-[4-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)ethenyl]-4a,8a-dihydronaphthalen-1-yl]-10-[4-[4-[3-[4-[4-[2-[4-[10-[4-[4-[7-methyl-4-methylidene-3-(2-methylphenyl)octa-5,7-dien-3-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-4a,8a-dihydronaphthalen-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-phenylfluoren-9-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene?

The canonical SMILES for 9-[4-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)ethenyl]-4a,8a-dihydronaphthalen-1-yl]-10-[4-[4-[3-[4-[4-[2-[4-[10-[4-[4-[7-methyl-4-methylidene-3-(2-methylphenyl)octa-5,7-dien-3-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-4a,8a-dihydronaphthalen-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-phenylfluoren-9-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene is C=C(C)C=CC(=C)C(CC)(C1=CC=C(C2=CC=C(C3=c4ccccc4=C(C4=CC=C(C=CC5=CC=C(C6=CC=C(c7ccc8c(c7)-c7ccccc7C8(C7=CC=C(C8=CC=C(C9=c%10ccccc%10=C(C%10=CC=C(C=CC%11=CC=C(C%12=CC=CCC%12)CC%11)C%11C=CC=CC%10%11)C%10C=CC=CC9%10)CC8)CC7)c7ccccc7)CC6)CC5)C5C=CC=CC45)C4C=CC=CC34)CC2)CC1)c1ccccc1C.

What is the InChIKey of 9-[4-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)ethenyl]-4a,8a-dihydronaphthalen-1-yl]-10-[4-[4-[3-[4-[4-[2-[4-[10-[4-[4-[7-methyl-4-methylidene-3-(2-methylphenyl)octa-5,7-dien-3-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-4a,8a-dihydronaphthalen-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-phenylfluoren-9-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene?

The InChIKey is ALKSFZZETWZEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C136H122/c1-6-135(92(5)50-49-90(2)3,128-47-27-13-29-91(128)4)109-82-75-101(76-83-109)99-67-71-106(72-68-99)131-117-39-18-22-43-121(117)133(122-44-23-19-40-118(122)131)126-87-80-105(113-35-15-17-37-115(113)126)62-56-94-53-59-97(60-54-94)98-63-65-103(66-64-98)108-81-88-130-127(89-108)116-38-26-28-48-129(116)136(130,110-32-11-8-12-33-110)111-84-77-102(78-85-111)100-69-73-107(74-70-100)132-119-41-20-24-45-123(119)134(124-46-25-21-42-120(124)132)125-86-79-104(112-34-14-16-36-114(112)125)61-55-93-51-57-96(58-52-93)95-30-9-7-10-31-95/h7-9,11-30,32-51,53,55-57,59,61-63,65,67,69,71,73,75,77,79-82,84,86-89,112-115,117,119,121,123H,2,5-6,10,31,52,54,58,60,64,66,68,70,72,74,76,78,83,85H2,1,3-4H3.

What are the key properties of 9-[4-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)ethenyl]-4a,8a-dihydronaphthalen-1-yl]-10-[4-[4-[3-[4-[4-[2-[4-[10-[4-[4-[7-methyl-4-methylidene-3-(2-methylphenyl)octa-5,7-dien-3-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-4a,8a-dihydronaphthalen-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-phenylfluoren-9-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene?

9-[4-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)ethenyl]-4a,8a-dihydronaphthalen-1-yl]-10-[4-[4-[3-[4-[4-[2-[4-[10-[4-[4-[7-methyl-4-methylidene-3-(2-methylphenyl)octa-5,7-dien-3-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-4a,8a-dihydronaphthalen-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-phenylfluoren-9-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene has a molecular weight of 1756.47 g/mol, XLogP of 30.92, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)ethenyl]-4a,8a-dihydronaphthalen-1-yl]-10-[4-[4-[3-[4-[4-[2-[4-[10-[4-[4-[7-methyl-4-methylidene-3-(2-methylphenyl)octa-5,7-dien-3-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-4a,8a-dihydronaphthalen-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-9-phenylfluoren-9-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene is sourced from PubChem (CID 123784190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).