[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2-methylphenyl]-[5-[1-ethyl-3,3,5-trimethyl-2-[(Z)-prop-1-enyl]-4H-inden-5-yl]-2-methylphenyl]methanone

C47H50O — CID 144659849

IUPAC[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2-methylphenyl]-[5-[1-ethyl-3,3,5-trimethyl-2-[(Z)-prop-1-enyl]-4H-inden-5-yl]-2-methylphenyl]methanone
SMILESC/C=C\C1=C(CC)C2=C(CC(C)(c3ccc(C)c(C(=O)c4cc(-c5ccc6c(c5)C(C)(C)C5C=CC=CC65)ccc4C)c3)C=C2)C1(C)C
InChIInChI=1S/C47H50O/c1-10-14-40-34(11-2)37-23-24-47(9,28-43(37)46(40,7)8)33-21-18-30(4)39(27-33)44(48)38-25-31(19-17-29(38)3)32-20-22-36-35-15-12-13-16-41(35)45(5,6)42(36)26-32/h10,12-27,35,41H,11,28H2,1-9H3/b14-10-
InChIKeyPWLDYONHUYPCDF-UVTDQMKNSA-N
MW630.92 g/mol
LogP12.16
Rot. Bonds6

About [5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2-methylphenyl]-[5-[1-ethyl-3,3,5-trimethyl-2-[(Z)-prop-1-enyl]-4H-inden-5-yl]-2-methylphenyl]methanone

[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2-methylphenyl]-[5-[1-ethyl-3,3,5-trimethyl-2-[(Z)-prop-1-enyl]-4H-inden-5-yl]-2-methylphenyl]methanone (PubChem CID 144659849) has the molecular formula C47H50O and a molecular weight of 630.92 g/mol. Its IUPAC name is [5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2-methylphenyl]-[5-[1-ethyl-3,3,5-trimethyl-2-[(Z)-prop-1-enyl]-4H-inden-5-yl]-2-methylphenyl]methanone.

Molecular Properties

Compound Name[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2-methylphenyl]-[5-[1-ethyl-3,3,5-trimethyl-2-[(Z)-prop-1-enyl]-4H-inden-5-yl]-2-methylphenyl]methanone
PubChem CID144659849
Molecular FormulaC47H50O
Molecular Weight630.92 g/mol
Exact Mass630.39
IUPAC Name[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2-methylphenyl]-[5-[1-ethyl-3,3,5-trimethyl-2-[(Z)-prop-1-enyl]-4H-inden-5-yl]-2-methylphenyl]methanone
SMILESC/C=C\C1=C(CC)C2=C(CC(C)(c3ccc(C)c(C(=O)c4cc(-c5ccc6c(c5)C(C)(C)C5C=CC=CC65)ccc4C)c3)C=C2)C1(C)C
InChIInChI=1S/C47H50O/c1-10-14-40-34(11-2)37-23-24-47(9,28-43(37)46(40,7)8)33-21-18-30(4)39(27-33)44(48)38-25-31(19-17-29(38)3)32-20-22-36-35-15-12-13-16-41(35)45(5,6)42(36)26-32/h10,12-27,35,41H,11,28H2,1-9H3/b14-10-
InChIKeyPWLDYONHUYPCDF-UVTDQMKNSA-N
XLogP12.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.92
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2-methylphenyl]-[5-[1-ethyl-3,3,5-trimethyl-2-[(Z)-prop-1-enyl]-4H-inden-5-yl]-2-methylphenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2-methylphenyl]-[5-[1-ethyl-3,3,5-trimethyl-2-[(Z)-prop-1-enyl]-4H-inden-5-yl]-2-methylphenyl]methanone?
The IUPAC name of [5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2-methylphenyl]-[5-[1-ethyl-3,3,5-trimethyl-2-[(Z)-prop-1-enyl]-4H-inden-5-yl]-2-methylphenyl]methanone (CID 144659849) is [5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2-methylphenyl]-[5-[1-ethyl-3,3,5-trimethyl-2-[(Z)-prop-1-enyl]-4H-inden-5-yl]-2-methylphenyl]methanone.
What is the SMILES notation for [5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2-methylphenyl]-[5-[1-ethyl-3,3,5-trimethyl-2-[(Z)-prop-1-enyl]-4H-inden-5-yl]-2-methylphenyl]methanone?
The canonical SMILES for [5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2-methylphenyl]-[5-[1-ethyl-3,3,5-trimethyl-2-[(Z)-prop-1-enyl]-4H-inden-5-yl]-2-methylphenyl]methanone is C/C=C\C1=C(CC)C2=C(CC(C)(c3ccc(C)c(C(=O)c4cc(-c5ccc6c(c5)C(C)(C)C5C=CC=CC65)ccc4C)c3)C=C2)C1(C)C.
What is the InChIKey of [5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2-methylphenyl]-[5-[1-ethyl-3,3,5-trimethyl-2-[(Z)-prop-1-enyl]-4H-inden-5-yl]-2-methylphenyl]methanone?
The InChIKey is PWLDYONHUYPCDF-UVTDQMKNSA-N. The full InChI is InChI=1S/C47H50O/c1-10-14-40-34(11-2)37-23-24-47(9,28-43(37)46(40,7)8)33-21-18-30(4)39(27-33)44(48)38-25-31(19-17-29(38)3)32-20-22-36-35-15-12-13-16-41(35)45(5,6)42(36)26-32/h10,12-27,35,41H,11,28H2,1-9H3/b14-10-.
What are the key properties of [5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2-methylphenyl]-[5-[1-ethyl-3,3,5-trimethyl-2-[(Z)-prop-1-enyl]-4H-inden-5-yl]-2-methylphenyl]methanone?
[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2-methylphenyl]-[5-[1-ethyl-3,3,5-trimethyl-2-[(Z)-prop-1-enyl]-4H-inden-5-yl]-2-methylphenyl]methanone has a molecular weight of 630.92 g/mol, XLogP of 12.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-2-methylphenyl]-[5-[1-ethyl-3,3,5-trimethyl-2-[(Z)-prop-1-enyl]-4H-inden-5-yl]-2-methylphenyl]methanone is sourced from PubChem (CID 144659849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).