4-[6-[2-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-dien-1-yl]-8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthrene

C52H46O2 — CID 142560981

IUPAC4-[6-[2-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-dien-1-yl]-8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthrene
SMILESCC(C)(C1=CCC(C2=CCCC=C2)C=C1)C1CC=CC=C1c1cccc2c1OC1C=CC3=C(c4ccccc4C3(c3ccccc3)c3ccccc3)C1O2
InChIInChI=1S/C52H46O2/c1-51(2,37-31-29-36(30-32-37)35-17-6-3-7-18-35)43-26-14-12-23-40(43)41-25-16-28-46-49(41)53-47-34-33-45-48(50(47)54-46)42-24-13-15-27-44(42)52(45,38-19-8-4-9-20-38)39-21-10-5-11-22-39/h4-6,8-25,27-29,31-34,36,43,47,50H,3,7,26,30H2,1-2H3
InChIKeyHPLHCVNVDKMEIF-UHFFFAOYSA-N
MW702.94 g/mol
LogP12.33
Rot. Bonds6

About 4-[6-[2-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-dien-1-yl]-8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthrene

4-[6-[2-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-dien-1-yl]-8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthrene (PubChem CID 142560981) has the molecular formula C52H46O2 and a molecular weight of 702.94 g/mol. Its IUPAC name is 4-[6-[2-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-dien-1-yl]-8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthrene.

Molecular Properties

Compound Name4-[6-[2-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-dien-1-yl]-8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthrene
PubChem CID142560981
Molecular FormulaC52H46O2
Molecular Weight702.94 g/mol
Exact Mass702.35
IUPAC Name4-[6-[2-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-dien-1-yl]-8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthrene
SMILESCC(C)(C1=CCC(C2=CCCC=C2)C=C1)C1CC=CC=C1c1cccc2c1OC1C=CC3=C(c4ccccc4C3(c3ccccc3)c3ccccc3)C1O2
InChIInChI=1S/C52H46O2/c1-51(2,37-31-29-36(30-32-37)35-17-6-3-7-18-35)43-26-14-12-23-40(43)41-25-16-28-46-49(41)53-47-34-33-45-48(50(47)54-46)42-24-13-15-27-44(42)52(45,38-19-8-4-9-20-38)39-21-10-5-11-22-39/h4-6,8-25,27-29,31-34,36,43,47,50H,3,7,26,30H2,1-2H3
InChIKeyHPLHCVNVDKMEIF-UHFFFAOYSA-N
XLogP12.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.94
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[6-[2-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-dien-1-yl]-8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthrene with MolForge

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Related Compounds

N'-(cyclohexa-2,4-dien-1-ylmethyl)-2-(8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthren-4-yl)-N-methylidenecyclohexa-1,5-diene-1-carboximidamide
CID 142561172
8,8-diphenyltetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene
CID 144950942
9-cyclohexa-1,3-dien-1-yl-2-methyl-9-phenyl-1,2-dihydrofluorene
CID 142567565
9-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)carbazole
CID 145272973
3-methyl-8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthrene;(Z)-N'-methylidene-3-phenanthren-2-yl-1-phenylprop-2-ene-1,3-diimine;(3Z)-penta-1,3-diene
CID 142561078
9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene
CID 142347056
9-cyclohepta-1,3,6-trien-1-yl-9-cyclohexa-1,5-dien-1-ylfluorene;ethane
CID 144721270
2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine
CID 174297442
N-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine
CID 166924257
2-cyclohexa-1,5-dien-1-yl-N-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]aniline
CID 142480920
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-dien-1-yl]-8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthrene?
The IUPAC name of 4-[6-[2-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-dien-1-yl]-8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthrene (CID 142560981) is 4-[6-[2-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-dien-1-yl]-8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthrene.
What is the SMILES notation for 4-[6-[2-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-dien-1-yl]-8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthrene?
The canonical SMILES for 4-[6-[2-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-dien-1-yl]-8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthrene is CC(C)(C1=CCC(C2=CCCC=C2)C=C1)C1CC=CC=C1c1cccc2c1OC1C=CC3=C(c4ccccc4C3(c3ccccc3)c3ccccc3)C1O2.
What is the InChIKey of 4-[6-[2-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-dien-1-yl]-8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthrene?
The InChIKey is HPLHCVNVDKMEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H46O2/c1-51(2,37-31-29-36(30-32-37)35-17-6-3-7-18-35)43-26-14-12-23-40(43)41-25-16-28-46-49(41)53-47-34-33-45-48(50(47)54-46)42-24-13-15-27-44(42)52(45,38-19-8-4-9-20-38)39-21-10-5-11-22-39/h4-6,8-25,27-29,31-34,36,43,47,50H,3,7,26,30H2,1-2H3.
What are the key properties of 4-[6-[2-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-dien-1-yl]-8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthrene?
4-[6-[2-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-dien-1-yl]-8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthrene has a molecular weight of 702.94 g/mol, XLogP of 12.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-1,3-dien-1-yl]-8,8-diphenyl-5a,12c-dihydroindeno[1,2-a]oxanthrene is sourced from PubChem (CID 142560981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).