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

C58H46 — CID 123255682

IUPAC3-[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
SMILESC1=CC2C=CC=C(C3=CC=C(C=CC4=CC=C(C5=c6ccccc6=C(C6=c7cccc8c7=C(CC6)c6ccccc6-8)C6C=CC=CC56)CC4)C4C=CC=CC34)C2C=C1
InChIInChI=1S/C58H46/c1-2-15-41-38(13-1)14-11-24-44(41)47-34-33-39(42-16-3-4-17-43(42)47)30-27-37-28-31-40(32-29-37)56-49-20-7-9-22-51(49)58(52-23-10-8-21-50(52)56)55-36-35-54-46-19-6-5-18-45(46)48-25-12-26-53(55)57(48)54/h1-28,30-31,33-34,38,41-43,49,51H,29,32,35-36H2
InChIKeyDCCDZQYSGDRVGZ-UHFFFAOYSA-N
MW743.01 g/mol
LogP10.47
Rot. Bonds5

About 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

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 (PubChem CID 123255682) has the molecular formula C58H46 and a molecular weight of 743.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID123255682
Molecular FormulaC58H46
Molecular Weight743.01 g/mol
Exact Mass742.36
IUPAC Name3-[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
SMILESC1=CC2C=CC=C(C3=CC=C(C=CC4=CC=C(C5=c6ccccc6=C(C6=c7cccc8c7=C(CC6)c6ccccc6-8)C6C=CC=CC56)CC4)C4C=CC=CC34)C2C=C1
InChIInChI=1S/C58H46/c1-2-15-41-38(13-1)14-11-24-44(41)47-34-33-39(42-16-3-4-17-43(42)47)30-27-37-28-31-40(32-29-37)56-49-20-7-9-22-51(49)58(52-23-10-8-21-50(52)56)55-36-35-54-46-19-6-5-18-45(46)48-25-12-26-53(55)57(48)54/h1-28,30-31,33-34,38,41-43,49,51H,29,32,35-36H2
InChIKeyDCCDZQYSGDRVGZ-UHFFFAOYSA-N
XLogP10.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.01
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
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
3-[10-[4-[2-(4-naphthalen-1-yl-4a,8a-dihydronaphthalen-1-yl)ethenyl]phenyl]-4a,9a-dihydroanthracen-9-yl]fluoranthene
CID 123930416
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
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-[6-(4a,8a-dihydronaphthalen-1-yl)-3,4,7,8-tetrahydronaphthalen-2-yl]-10-[6-(2,3-dihydronaphthalen-1-yl)-7,8-dihydronaphthalen-2-yl]-4a,9a-dihydroanthracene
CID 123809093
2-(4a,8a-dihydronaphthalen-1-yl)-9,9-dimethyl-1,9a-dihydrofluorene
CID 123963196
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
1-(2-methyl-2,3-dihydro-1H-inden-4-yl)-4a,8a-dihydronaphthalene
CID 54378527
3-[4-[10-(3,4-dihydronaphthalen-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-6-methyl-1,2-dihydropyridine
CID 88554583

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2C=CC=C(C3=CC=C(C=CC4=CC=C(C5=c6ccccc6=C(C6=c7cccc8c7=C(CC6)c6ccccc6-8)C6C=CC=CC56)CC4)C4C=CC=CC34)C2C=C1.
What is the InChIKey of 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?
The InChIKey is DCCDZQYSGDRVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46/c1-2-15-41-38(13-1)14-11-24-44(41)47-34-33-39(42-16-3-4-17-43(42)47)30-27-37-28-31-40(32-29-37)56-49-20-7-9-22-51(49)58(52-23-10-8-21-50(52)56)55-36-35-54-46-19-6-5-18-45(46)48-25-12-26-53(55)57(48)54/h1-28,30-31,33-34,38,41-43,49,51H,29,32,35-36H2.
What are the key properties of 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?
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 has a molecular weight of 743.01 g/mol, XLogP of 10.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123255682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).