4-cyclohexa-1,5-dien-1-yl-2-[3-(8,8-dimethyl-11,12-dihydroindeno[1,2-a]oxanthren-1-yl)phenyl]-6-(3-pyridin-2-ylphenyl)pyridine;(Z)-5,5-dimethyl-4-methylidenehex-2-ene;ethane;propane

C63H68N2O2 — CID 142561022

IUPAC4-cyclohexa-1,5-dien-1-yl-2-[3-(8,8-dimethyl-11,12-dihydroindeno[1,2-a]oxanthren-1-yl)phenyl]-6-(3-pyridin-2-ylphenyl)pyridine;(Z)-5,5-dimethyl-4-methylidenehex-2-ene;ethane;propane
SMILESC=C(/C=C\C)C(C)(C)C.CC.CC1(C)C2=C(CCC=C2)c2c1ccc1c2Oc2c(cccc2-c2cccc(-c3cc(C4=CCCC=C4)cc(-c4cccc(-c5ccccn5)c4)n3)c2)O1.CCC
InChIInChI=1S/C49H38N2O2.C9H16.C3H8.C2H6/c1-49(2)39-21-7-6-19-38(39)46-40(49)24-25-45-48(46)53-47-37(20-12-23-44(47)52-45)32-15-10-17-34(27-32)42-29-36(31-13-4-3-5-14-31)30-43(51-42)35-18-11-16-33(28-35)41-22-8-9-26-50-41;1-6-7-8(2)9(3,4)5;1-3-2;1-2/h4,7-18,20-30H,3,5-6,19H2,1-2H3;6-7H,2H2,1,3-5H3;3H2,1-2H3;1-2H3/b;7-6-;;
InChIKeyCYCWPGBPCMOWFS-MLIOTXERSA-N
MW885.25 g/mol
LogP18.78
Rot. Bonds6

About 4-cyclohexa-1,5-dien-1-yl-2-[3-(8,8-dimethyl-11,12-dihydroindeno[1,2-a]oxanthren-1-yl)phenyl]-6-(3-pyridin-2-ylphenyl)pyridine;(Z)-5,5-dimethyl-4-methylidenehex-2-ene;ethane;propane

4-cyclohexa-1,5-dien-1-yl-2-[3-(8,8-dimethyl-11,12-dihydroindeno[1,2-a]oxanthren-1-yl)phenyl]-6-(3-pyridin-2-ylphenyl)pyridine;(Z)-5,5-dimethyl-4-methylidenehex-2-ene;ethane;propane (PubChem CID 142561022) has the molecular formula C63H68N2O2 and a molecular weight of 885.25 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-2-[3-(8,8-dimethyl-11,12-dihydroindeno[1,2-a]oxanthren-1-yl)phenyl]-6-(3-pyridin-2-ylphenyl)pyridine;(Z)-5,5-dimethyl-4-methylidenehex-2-ene;ethane;propane.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-2-[3-(8,8-dimethyl-11,12-dihydroindeno[1,2-a]oxanthren-1-yl)phenyl]-6-(3-pyridin-2-ylphenyl)pyridine;(Z)-5,5-dimethyl-4-methylidenehex-2-ene;ethane;propane
PubChem CID142561022
Molecular FormulaC63H68N2O2
Molecular Weight885.25 g/mol
Exact Mass884.53
IUPAC Name4-cyclohexa-1,5-dien-1-yl-2-[3-(8,8-dimethyl-11,12-dihydroindeno[1,2-a]oxanthren-1-yl)phenyl]-6-(3-pyridin-2-ylphenyl)pyridine;(Z)-5,5-dimethyl-4-methylidenehex-2-ene;ethane;propane
SMILESC=C(/C=C\C)C(C)(C)C.CC.CC1(C)C2=C(CCC=C2)c2c1ccc1c2Oc2c(cccc2-c2cccc(-c3cc(C4=CCCC=C4)cc(-c4cccc(-c5ccccn5)c4)n3)c2)O1.CCC
InChIInChI=1S/C49H38N2O2.C9H16.C3H8.C2H6/c1-49(2)39-21-7-6-19-38(39)46-40(49)24-25-45-48(46)53-47-37(20-12-23-44(47)52-45)32-15-10-17-34(27-32)42-29-36(31-13-4-3-5-14-31)30-43(51-42)35-18-11-16-33(28-35)41-22-8-9-26-50-41;1-6-7-8(2)9(3,4)5;1-3-2;1-2/h4,7-18,20-30H,3,5-6,19H2,1-2H3;6-7H,2H2,1,3-5H3;3H2,1-2H3;1-2H3/b;7-6-;;
InChIKeyCYCWPGBPCMOWFS-MLIOTXERSA-N
XLogP18.78
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.25
LogP ≤ 518.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-cyclohexa-1,5-dien-1-yl-2-[3-(8,8-dimethyl-11,12-dihydroindeno[1,2-a]oxanthren-1-yl)phenyl]-6-(3-pyridin-2-ylphenyl)pyridine;(Z)-5,5-dimethyl-4-methylidenehex-2-ene;ethane;propane with MolForge

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Related Compounds

(2Z)-1-[3-[4-[3-(8,8-dimethyl-11,12-dihydroindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]penta-2,4-dien-1-imine;ethane;ethene
CID 142560931
1-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone
CID 163743878
2-[3-tert-butyl-5-[6-(9-pyridin-2-yl-3,4-dihydrofluoren-9-yl)-2-pyridinyl]phenyl]phenol
CID 130320577
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575450
4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 138575816
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine
CID 138575674
2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138575917
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-4-(3-phenylphenyl)pyridine
CID 138575977
2-cyclohexa-1,5-dien-1-yl-6-(9,9-dimethyl-6'-naphthalen-1-ylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenylpyridine
CID 155475729
4-cyclohexa-1,5-dien-1-yl-N-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 146247654
4-(4-buta-1,3-dien-2-ylphenyl)-2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(4-phenylphenyl)pyrimidine
CID 138575970
N-[(2Z,4Z)-3-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-2-ethenylhexa-2,4-dienyl]-1-[2-[3-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]phenyl]ethanimine;prop-1-en-2-ylbenzene
CID 145218159

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-2-[3-(8,8-dimethyl-11,12-dihydroindeno[1,2-a]oxanthren-1-yl)phenyl]-6-(3-pyridin-2-ylphenyl)pyridine;(Z)-5,5-dimethyl-4-methylidenehex-2-ene;ethane;propane?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-2-[3-(8,8-dimethyl-11,12-dihydroindeno[1,2-a]oxanthren-1-yl)phenyl]-6-(3-pyridin-2-ylphenyl)pyridine;(Z)-5,5-dimethyl-4-methylidenehex-2-ene;ethane;propane (CID 142561022) is 4-cyclohexa-1,5-dien-1-yl-2-[3-(8,8-dimethyl-11,12-dihydroindeno[1,2-a]oxanthren-1-yl)phenyl]-6-(3-pyridin-2-ylphenyl)pyridine;(Z)-5,5-dimethyl-4-methylidenehex-2-ene;ethane;propane.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-2-[3-(8,8-dimethyl-11,12-dihydroindeno[1,2-a]oxanthren-1-yl)phenyl]-6-(3-pyridin-2-ylphenyl)pyridine;(Z)-5,5-dimethyl-4-methylidenehex-2-ene;ethane;propane?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-2-[3-(8,8-dimethyl-11,12-dihydroindeno[1,2-a]oxanthren-1-yl)phenyl]-6-(3-pyridin-2-ylphenyl)pyridine;(Z)-5,5-dimethyl-4-methylidenehex-2-ene;ethane;propane is C=C(/C=C\C)C(C)(C)C.CC.CC1(C)C2=C(CCC=C2)c2c1ccc1c2Oc2c(cccc2-c2cccc(-c3cc(C4=CCCC=C4)cc(-c4cccc(-c5ccccn5)c4)n3)c2)O1.CCC.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-2-[3-(8,8-dimethyl-11,12-dihydroindeno[1,2-a]oxanthren-1-yl)phenyl]-6-(3-pyridin-2-ylphenyl)pyridine;(Z)-5,5-dimethyl-4-methylidenehex-2-ene;ethane;propane?
The InChIKey is CYCWPGBPCMOWFS-MLIOTXERSA-N. The full InChI is InChI=1S/C49H38N2O2.C9H16.C3H8.C2H6/c1-49(2)39-21-7-6-19-38(39)46-40(49)24-25-45-48(46)53-47-37(20-12-23-44(47)52-45)32-15-10-17-34(27-32)42-29-36(31-13-4-3-5-14-31)30-43(51-42)35-18-11-16-33(28-35)41-22-8-9-26-50-41;1-6-7-8(2)9(3,4)5;1-3-2;1-2/h4,7-18,20-30H,3,5-6,19H2,1-2H3;6-7H,2H2,1,3-5H3;3H2,1-2H3;1-2H3/b;7-6-;;.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-2-[3-(8,8-dimethyl-11,12-dihydroindeno[1,2-a]oxanthren-1-yl)phenyl]-6-(3-pyridin-2-ylphenyl)pyridine;(Z)-5,5-dimethyl-4-methylidenehex-2-ene;ethane;propane?
4-cyclohexa-1,5-dien-1-yl-2-[3-(8,8-dimethyl-11,12-dihydroindeno[1,2-a]oxanthren-1-yl)phenyl]-6-(3-pyridin-2-ylphenyl)pyridine;(Z)-5,5-dimethyl-4-methylidenehex-2-ene;ethane;propane has a molecular weight of 885.25 g/mol, XLogP of 18.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-2-[3-(8,8-dimethyl-11,12-dihydroindeno[1,2-a]oxanthren-1-yl)phenyl]-6-(3-pyridin-2-ylphenyl)pyridine;(Z)-5,5-dimethyl-4-methylidenehex-2-ene;ethane;propane is sourced from PubChem (CID 142561022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).