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

C54H46 — CID 123809093

IUPAC9-[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
SMILESC1=CC2C=CC=C(C3=CC4=C(C=C(C5=c6ccccc6=C(c6ccc7c(c6)CCC(C6=c8ccccc8=CCC6)=C7)C6C=CC=CC56)CC4)CC3)C2C=C1
InChIInChI=1S/C54H46/c1-3-15-45-35(11-1)13-9-21-47(45)41-27-23-39-33-43(29-25-37(39)31-41)53-49-17-5-7-19-51(49)54(52-20-8-6-18-50(52)53)44-30-26-38-32-42(28-24-40(38)34-44)48-22-10-14-36-12-2-4-16-46(36)48/h1-9,11-21,26,30-35,45,49,51H,10,22-25,27-29H2
InChIKeyAGNYBLOCBPJMPM-UHFFFAOYSA-N
MW694.96 g/mol
LogP9.75
Rot. Bonds4

About 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

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 (PubChem CID 123809093) has the molecular formula C54H46 and a molecular weight of 694.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID123809093
Molecular FormulaC54H46
Molecular Weight694.96 g/mol
Exact Mass694.36
IUPAC Name9-[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
SMILESC1=CC2C=CC=C(C3=CC4=C(C=C(C5=c6ccccc6=C(c6ccc7c(c6)CCC(C6=c8ccccc8=CCC6)=C7)C6C=CC=CC56)CC4)CC3)C2C=C1
InChIInChI=1S/C54H46/c1-3-15-45-35(11-1)13-9-21-47(45)41-27-23-39-33-43(29-25-37(39)31-41)53-49-17-5-7-19-51(49)54(52-20-8-6-18-50(52)53)44-30-26-38-32-42(28-24-40(38)34-44)48-22-10-14-36-12-2-4-16-46(36)48/h1-9,11-21,26,30-35,45,49,51H,10,22-25,27-29H2
InChIKeyAGNYBLOCBPJMPM-UHFFFAOYSA-N
XLogP9.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.96
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene
CID 168834157
9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-[4-[10-(7,8-dihydronaphthalen-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,9a-dihydroanthracene
CID 123757413
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
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-[12-(2,3-dihydronaphthalen-1-yl)-4a,12a-dihydrobenzo[10]annulen-5-yl]-1,2,4b,8a-tetrahydrophenanthrene
CID 123796505
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-[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
12-(1,7,8,8a-tetrahydronaphthalen-1-yl)-6-(7,8-dihydronaphthalen-1-yl)-3-[6-(3,4,7,8-tetrahydronaphthalen-2-yl)-7,8-dihydronaphthalen-2-yl]-1,2,10,10a-tetrahydrochrysene
CID 91058968
2-[8-[6-(1,2,4b,8a-tetrahydrophenanthren-3-yl)-7,8-dihydronaphthalen-2-yl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 145447985
3-[6-[(4S,10aS)-4,5-dimethyl-10-phenyl-3,4,5,10a-tetrahydroanthracen-9-yl]-7,8-dihydronaphthalen-2-yl]-5-pyridin-4-ylpyridine
CID 174026097
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-(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2C=CC=C(C3=CC4=C(C=C(C5=c6ccccc6=C(c6ccc7c(c6)CCC(C6=c8ccccc8=CCC6)=C7)C6C=CC=CC56)CC4)CC3)C2C=C1.
What is the InChIKey of 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?
The InChIKey is AGNYBLOCBPJMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46/c1-3-15-45-35(11-1)13-9-21-47(45)41-27-23-39-33-43(29-25-37(39)31-41)53-49-17-5-7-19-51(49)54(52-20-8-6-18-50(52)53)44-30-26-38-32-42(28-24-40(38)34-44)48-22-10-14-36-12-2-4-16-46(36)48/h1-9,11-21,26,30-35,45,49,51H,10,22-25,27-29H2.
What are the key properties of 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?
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 has a molecular weight of 694.96 g/mol, XLogP of 9.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123809093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).