9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-[4-[9-(4-methylphenyl)fluoren-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene

C64H54 — CID 123595065

IUPAC9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-[4-[9-(4-methylphenyl)fluoren-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene
SMILESCc1ccc(C2(C3=CC=C(C4=c5ccccc5=C(C5=CC=C(C=CC6=CC=C(C7=CC=CC8C=CC=CC78)CC6)CC5)C5C=CC=CC45)CC3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C64H54/c1-43-25-39-50(40-26-43)64(60-23-10-8-16-54(60)55-17-9-11-24-61(55)64)51-41-37-49(38-42-51)63-58-20-6-4-18-56(58)62(57-19-5-7-21-59(57)63)48-35-31-45(32-36-48)28-27-44-29-33-47(34-30-44)53-22-12-14-46-13-2-3-15-52(46)53/h2-29,31,33,35,37,39-41,46,52,56,58H,30,32,34,36,38,42H2,1H3
InChIKeyFMKGOJYJOCDLJK-UHFFFAOYSA-N
MW823.14 g/mol
LogP14.03
Rot. Bonds7

About 9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-[4-[9-(4-methylphenyl)fluoren-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene

9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-[4-[9-(4-methylphenyl)fluoren-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene (PubChem CID 123595065) has the molecular formula C64H54 and a molecular weight of 823.14 g/mol. Its IUPAC name is 9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-[4-[9-(4-methylphenyl)fluoren-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene.

Molecular Properties

Compound Name9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-[4-[9-(4-methylphenyl)fluoren-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene
PubChem CID123595065
Molecular FormulaC64H54
Molecular Weight823.14 g/mol
Exact Mass822.42
IUPAC Name9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-[4-[9-(4-methylphenyl)fluoren-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene
SMILESCc1ccc(C2(C3=CC=C(C4=c5ccccc5=C(C5=CC=C(C=CC6=CC=C(C7=CC=CC8C=CC=CC78)CC6)CC5)C5C=CC=CC45)CC3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C64H54/c1-43-25-39-50(40-26-43)64(60-23-10-8-16-54(60)55-17-9-11-24-61(55)64)51-41-37-49(38-42-51)63-58-20-6-4-18-56(58)62(57-19-5-7-21-59(57)63)48-35-31-45(32-36-48)28-27-44-29-33-47(34-30-44)53-22-12-14-46-13-2-3-15-52(46)53/h2-29,31,33,35,37,39-41,46,52,56,58H,30,32,34,36,38,42H2,1H3
InChIKeyFMKGOJYJOCDLJK-UHFFFAOYSA-N
XLogP14.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.14
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-[4-[9-(4-methylphenyl)fluoren-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene with MolForge

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Related Compounds

9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-(4b,8a-dihydrophenanthren-9-yl)-4a,9a-dihydroanthracene
CID 123648265
9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-4a,9a-dihydroanthracene
CID 123735519
3-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)-4a,8a-dihydronaphthalen-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-1,2-dihydrofluoranthene
CID 123255682
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
9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene
CID 91600105
10-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-9-(4-naphthalen-2-ylphenyl)-2-phenyl-4a,9a-dihydroanthracene
CID 90728902
2-(4a,8a-dihydronaphthalen-1-yl)-9,9-dimethyl-1,9a-dihydrofluorene
CID 123963196
2-[3-[5-[10-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracen-9-yl]-3-phenylcyclohexa-1,5-dien-1-yl]phenyl]-9-[10-[4-[2-(4-naphthalen-1-ylphenyl)ethenyl]phenyl]anthracen-9-yl]anthracene
CID 123508639
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
9-[4-[4-[4-(9-hydroxy-4a,9a-dihydrofluoren-9-yl)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]fluoren-9-ol
CID 90338421
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene
CID 123478090

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-[4-[9-(4-methylphenyl)fluoren-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene?
The IUPAC name of 9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-[4-[9-(4-methylphenyl)fluoren-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene (CID 123595065) is 9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-[4-[9-(4-methylphenyl)fluoren-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene.
What is the SMILES notation for 9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-[4-[9-(4-methylphenyl)fluoren-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene?
The canonical SMILES for 9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-[4-[9-(4-methylphenyl)fluoren-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene is Cc1ccc(C2(C3=CC=C(C4=c5ccccc5=C(C5=CC=C(C=CC6=CC=C(C7=CC=CC8C=CC=CC78)CC6)CC5)C5C=CC=CC45)CC3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-[4-[9-(4-methylphenyl)fluoren-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene?
The InChIKey is FMKGOJYJOCDLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H54/c1-43-25-39-50(40-26-43)64(60-23-10-8-16-54(60)55-17-9-11-24-61(55)64)51-41-37-49(38-42-51)63-58-20-6-4-18-56(58)62(57-19-5-7-21-59(57)63)48-35-31-45(32-36-48)28-27-44-29-33-47(34-30-44)53-22-12-14-46-13-2-3-15-52(46)53/h2-29,31,33,35,37,39-41,46,52,56,58H,30,32,34,36,38,42H2,1H3.
What are the key properties of 9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-[4-[9-(4-methylphenyl)fluoren-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene?
9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-[4-[9-(4-methylphenyl)fluoren-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene has a molecular weight of 823.14 g/mol, XLogP of 14.03, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-yl]-10-[4-[9-(4-methylphenyl)fluoren-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene is sourced from PubChem (CID 123595065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).