1-ethenyl-6,6,11,11-tetramethyl-2-[(Z)-prop-1-enyl]-7,8-dihydro-3H-cyclopenta[a]anthracene;phenyl-(4-propan-2-ylphenyl)methanone

C42H46O — CID 145449917

IUPAC1-ethenyl-6,6,11,11-tetramethyl-2-[(Z)-prop-1-enyl]-7,8-dihydro-3H-cyclopenta[a]anthracene;phenyl-(4-propan-2-ylphenyl)methanone
SMILESC=CC1=C(/C=C\C)Cc2ccc3c(c21)C(C)(C)C1=C(CCC=C1)C3(C)C.CC(C)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C26H30.C16H16O/c1-7-11-17-16-18-14-15-22-24(23(18)19(17)8-2)26(5,6)21-13-10-9-12-20(21)25(22,3)4;1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14/h7-8,10-11,13-15H,2,9,12,16H2,1,3-6H3;3-12H,1-2H3/b11-7-;
InChIKeyBXZGFALLAIDCHE-AJULUCINSA-N
MW566.83 g/mol
LogP11.01
Rot. Bonds5

About 1-ethenyl-6,6,11,11-tetramethyl-2-[(Z)-prop-1-enyl]-7,8-dihydro-3H-cyclopenta[a]anthracene;phenyl-(4-propan-2-ylphenyl)methanone

1-ethenyl-6,6,11,11-tetramethyl-2-[(Z)-prop-1-enyl]-7,8-dihydro-3H-cyclopenta[a]anthracene;phenyl-(4-propan-2-ylphenyl)methanone (PubChem CID 145449917) has the molecular formula C42H46O and a molecular weight of 566.83 g/mol. Its IUPAC name is 1-ethenyl-6,6,11,11-tetramethyl-2-[(Z)-prop-1-enyl]-7,8-dihydro-3H-cyclopenta[a]anthracene;phenyl-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name1-ethenyl-6,6,11,11-tetramethyl-2-[(Z)-prop-1-enyl]-7,8-dihydro-3H-cyclopenta[a]anthracene;phenyl-(4-propan-2-ylphenyl)methanone
PubChem CID145449917
Molecular FormulaC42H46O
Molecular Weight566.83 g/mol
Exact Mass566.35
IUPAC Name1-ethenyl-6,6,11,11-tetramethyl-2-[(Z)-prop-1-enyl]-7,8-dihydro-3H-cyclopenta[a]anthracene;phenyl-(4-propan-2-ylphenyl)methanone
SMILESC=CC1=C(/C=C\C)Cc2ccc3c(c21)C(C)(C)C1=C(CCC=C1)C3(C)C.CC(C)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C26H30.C16H16O/c1-7-11-17-16-18-14-15-22-24(23(18)19(17)8-2)26(5,6)21-13-10-9-12-20(21)25(22,3)4;1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14/h7-8,10-11,13-15H,2,9,12,16H2,1,3-6H3;3-12H,1-2H3/b11-7-;
InChIKeyBXZGFALLAIDCHE-AJULUCINSA-N
XLogP11.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.83
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethenyl-6,6,11,11-tetramethyl-2-[(Z)-prop-1-enyl]-7,8-dihydro-3H-cyclopenta[a]anthracene;phenyl-(4-propan-2-ylphenyl)methanone with MolForge

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Related Compounds

(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
9-[4-[2,3-bis(ethenyl)-1-methylinden-1-yl]-3-ethenyl-2-[(Z)-prop-1-enyl]-7,8-dihydronaphthalen-1-yl]-9-methylfluorene
CID 169131024
3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene
CID 153369602
5-phenyl-5-(4-propan-2-ylphenyl)pent-4-enoic acid
CID 57178273
[7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 88890935
bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930
butane-2,3-diol;diphenylmethanone
CID 175235923
phenyl-[4-(1-tellanylethyl)phenyl]methanone
CID 174989936
[4-(1-methoxyprop-2-enyl)phenyl]-phenylmethanone
CID 67434862
phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone
CID 38031441
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-6,6,11,11-tetramethyl-2-[(Z)-prop-1-enyl]-7,8-dihydro-3H-cyclopenta[a]anthracene;phenyl-(4-propan-2-ylphenyl)methanone?
The IUPAC name of 1-ethenyl-6,6,11,11-tetramethyl-2-[(Z)-prop-1-enyl]-7,8-dihydro-3H-cyclopenta[a]anthracene;phenyl-(4-propan-2-ylphenyl)methanone (CID 145449917) is 1-ethenyl-6,6,11,11-tetramethyl-2-[(Z)-prop-1-enyl]-7,8-dihydro-3H-cyclopenta[a]anthracene;phenyl-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for 1-ethenyl-6,6,11,11-tetramethyl-2-[(Z)-prop-1-enyl]-7,8-dihydro-3H-cyclopenta[a]anthracene;phenyl-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for 1-ethenyl-6,6,11,11-tetramethyl-2-[(Z)-prop-1-enyl]-7,8-dihydro-3H-cyclopenta[a]anthracene;phenyl-(4-propan-2-ylphenyl)methanone is C=CC1=C(/C=C\C)Cc2ccc3c(c21)C(C)(C)C1=C(CCC=C1)C3(C)C.CC(C)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 1-ethenyl-6,6,11,11-tetramethyl-2-[(Z)-prop-1-enyl]-7,8-dihydro-3H-cyclopenta[a]anthracene;phenyl-(4-propan-2-ylphenyl)methanone?
The InChIKey is BXZGFALLAIDCHE-AJULUCINSA-N. The full InChI is InChI=1S/C26H30.C16H16O/c1-7-11-17-16-18-14-15-22-24(23(18)19(17)8-2)26(5,6)21-13-10-9-12-20(21)25(22,3)4;1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14/h7-8,10-11,13-15H,2,9,12,16H2,1,3-6H3;3-12H,1-2H3/b11-7-;.
What are the key properties of 1-ethenyl-6,6,11,11-tetramethyl-2-[(Z)-prop-1-enyl]-7,8-dihydro-3H-cyclopenta[a]anthracene;phenyl-(4-propan-2-ylphenyl)methanone?
1-ethenyl-6,6,11,11-tetramethyl-2-[(Z)-prop-1-enyl]-7,8-dihydro-3H-cyclopenta[a]anthracene;phenyl-(4-propan-2-ylphenyl)methanone has a molecular weight of 566.83 g/mol, XLogP of 11.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-6,6,11,11-tetramethyl-2-[(Z)-prop-1-enyl]-7,8-dihydro-3H-cyclopenta[a]anthracene;phenyl-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 145449917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).