7-[(1E,3E,5E,6Z)-4-[4-[(Z)-but-1-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-6-ethylidene-3,9-dimethyl-7-naphthalen-1-yl-5-propylidenecyclonona-1,3,7-trien-1-yl]-9,9-dimethyl-1,2-dihydrofluorene

C52H56 — CID 144926060

IUPAC7-[(1E,3E,5E,6Z)-4-[4-[(Z)-but-1-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-6-ethylidene-3,9-dimethyl-7-naphthalen-1-yl-5-propylidenecyclonona-1,3,7-trien-1-yl]-9,9-dimethyl-1,2-dihydrofluorene
SMILESC/C=C1/C(c2cccc3ccccc23)=CC(C)/C(c2ccc3c(c2)C(C)(C)C2=C3C=CCC2)=C\C(C)=C(C2=CC=C(/C=C\CC)C(C)C2)\C1=C\CC
InChIInChI=1S/C52H56/c1-9-12-19-37-26-27-40(30-34(37)4)51-36(6)32-47(39-28-29-45-44-23-15-16-25-49(44)52(7,8)50(45)33-39)35(5)31-48(41(11-3)46(51)18-10-2)43-24-17-21-38-20-13-14-22-42(38)43/h11-15,17-24,26-29,31-35H,9-10,16,25,30H2,1-8H3/b19-12-,41-11+,46-18+,47-32+,48-31?,51-36+
InChIKeyCDGDKEACCZIKJB-MJZCRLNGSA-N
MW681.02 g/mol
LogP14.81
Rot. Bonds6

About 7-[(1E,3E,5E,6Z)-4-[4-[(Z)-but-1-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-6-ethylidene-3,9-dimethyl-7-naphthalen-1-yl-5-propylidenecyclonona-1,3,7-trien-1-yl]-9,9-dimethyl-1,2-dihydrofluorene

7-[(1E,3E,5E,6Z)-4-[4-[(Z)-but-1-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-6-ethylidene-3,9-dimethyl-7-naphthalen-1-yl-5-propylidenecyclonona-1,3,7-trien-1-yl]-9,9-dimethyl-1,2-dihydrofluorene (PubChem CID 144926060) has the molecular formula C52H56 and a molecular weight of 681.02 g/mol. Its IUPAC name is 7-[(1E,3E,5E,6Z)-4-[4-[(Z)-but-1-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-6-ethylidene-3,9-dimethyl-7-naphthalen-1-yl-5-propylidenecyclonona-1,3,7-trien-1-yl]-9,9-dimethyl-1,2-dihydrofluorene.

Molecular Properties

Compound Name7-[(1E,3E,5E,6Z)-4-[4-[(Z)-but-1-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-6-ethylidene-3,9-dimethyl-7-naphthalen-1-yl-5-propylidenecyclonona-1,3,7-trien-1-yl]-9,9-dimethyl-1,2-dihydrofluorene
PubChem CID144926060
Molecular FormulaC52H56
Molecular Weight681.02 g/mol
Exact Mass680.44
IUPAC Name7-[(1E,3E,5E,6Z)-4-[4-[(Z)-but-1-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-6-ethylidene-3,9-dimethyl-7-naphthalen-1-yl-5-propylidenecyclonona-1,3,7-trien-1-yl]-9,9-dimethyl-1,2-dihydrofluorene
SMILESC/C=C1/C(c2cccc3ccccc23)=CC(C)/C(c2ccc3c(c2)C(C)(C)C2=C3C=CCC2)=C\C(C)=C(C2=CC=C(/C=C\CC)C(C)C2)\C1=C\CC
InChIInChI=1S/C52H56/c1-9-12-19-37-26-27-40(30-34(37)4)51-36(6)32-47(39-28-29-45-44-23-15-16-25-49(44)52(7,8)50(45)33-39)35(5)31-48(41(11-3)46(51)18-10-2)43-24-17-21-38-20-13-14-22-42(38)43/h11-15,17-24,26-29,31-35H,9-10,16,25,30H2,1-8H3/b19-12-,41-11+,46-18+,47-32+,48-31?,51-36+
InChIKeyCDGDKEACCZIKJB-MJZCRLNGSA-N
XLogP14.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.02
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-[(1E,3E,5E,6Z)-4-[4-[(Z)-but-1-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-6-ethylidene-3,9-dimethyl-7-naphthalen-1-yl-5-propylidenecyclonona-1,3,7-trien-1-yl]-9,9-dimethyl-1,2-dihydrofluorene with MolForge

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Related Compounds

N-[4-[4-[6-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 68546573
2-[(3Z,4E)-3-[(E)-3-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)but-2-enylidene]-5-methyl-4-propylidene-5H-benzo[7]annulen-7-yl]-9,9-dimethylfluorene;ethane
CID 144659851
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine
CID 70894315
1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]
CID 166825100
9-[4-[4-[(Z)-but-1-enyl]phenyl]phenyl]-10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-1,2-dihydroanthracene;ethane
CID 144926033
9,9,10,10-tetramethyl-2,6-dinaphthalen-1-ylanthracene
CID 59649099
9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene
CID 145212388
7-(4-tert-butylphenyl)-9,9-dimethyl-3-(2-methylphenyl)-1,2-dihydrofluorene
CID 156827419
CID 145229229
CID 145229229
N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
CID 89196839
2-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine
CID 146359376
1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene
CID 178165621

Frequently Asked Questions

What is the IUPAC name of 7-[(1E,3E,5E,6Z)-4-[4-[(Z)-but-1-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-6-ethylidene-3,9-dimethyl-7-naphthalen-1-yl-5-propylidenecyclonona-1,3,7-trien-1-yl]-9,9-dimethyl-1,2-dihydrofluorene?
The IUPAC name of 7-[(1E,3E,5E,6Z)-4-[4-[(Z)-but-1-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-6-ethylidene-3,9-dimethyl-7-naphthalen-1-yl-5-propylidenecyclonona-1,3,7-trien-1-yl]-9,9-dimethyl-1,2-dihydrofluorene (CID 144926060) is 7-[(1E,3E,5E,6Z)-4-[4-[(Z)-but-1-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-6-ethylidene-3,9-dimethyl-7-naphthalen-1-yl-5-propylidenecyclonona-1,3,7-trien-1-yl]-9,9-dimethyl-1,2-dihydrofluorene.
What is the SMILES notation for 7-[(1E,3E,5E,6Z)-4-[4-[(Z)-but-1-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-6-ethylidene-3,9-dimethyl-7-naphthalen-1-yl-5-propylidenecyclonona-1,3,7-trien-1-yl]-9,9-dimethyl-1,2-dihydrofluorene?
The canonical SMILES for 7-[(1E,3E,5E,6Z)-4-[4-[(Z)-but-1-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-6-ethylidene-3,9-dimethyl-7-naphthalen-1-yl-5-propylidenecyclonona-1,3,7-trien-1-yl]-9,9-dimethyl-1,2-dihydrofluorene is C/C=C1/C(c2cccc3ccccc23)=CC(C)/C(c2ccc3c(c2)C(C)(C)C2=C3C=CCC2)=C\C(C)=C(C2=CC=C(/C=C\CC)C(C)C2)\C1=C\CC.
What is the InChIKey of 7-[(1E,3E,5E,6Z)-4-[4-[(Z)-but-1-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-6-ethylidene-3,9-dimethyl-7-naphthalen-1-yl-5-propylidenecyclonona-1,3,7-trien-1-yl]-9,9-dimethyl-1,2-dihydrofluorene?
The InChIKey is CDGDKEACCZIKJB-MJZCRLNGSA-N. The full InChI is InChI=1S/C52H56/c1-9-12-19-37-26-27-40(30-34(37)4)51-36(6)32-47(39-28-29-45-44-23-15-16-25-49(44)52(7,8)50(45)33-39)35(5)31-48(41(11-3)46(51)18-10-2)43-24-17-21-38-20-13-14-22-42(38)43/h11-15,17-24,26-29,31-35H,9-10,16,25,30H2,1-8H3/b19-12-,41-11+,46-18+,47-32+,48-31?,51-36+.
What are the key properties of 7-[(1E,3E,5E,6Z)-4-[4-[(Z)-but-1-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-6-ethylidene-3,9-dimethyl-7-naphthalen-1-yl-5-propylidenecyclonona-1,3,7-trien-1-yl]-9,9-dimethyl-1,2-dihydrofluorene?
7-[(1E,3E,5E,6Z)-4-[4-[(Z)-but-1-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-6-ethylidene-3,9-dimethyl-7-naphthalen-1-yl-5-propylidenecyclonona-1,3,7-trien-1-yl]-9,9-dimethyl-1,2-dihydrofluorene has a molecular weight of 681.02 g/mol, XLogP of 14.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1E,3E,5E,6Z)-4-[4-[(Z)-but-1-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-6-ethylidene-3,9-dimethyl-7-naphthalen-1-yl-5-propylidenecyclonona-1,3,7-trien-1-yl]-9,9-dimethyl-1,2-dihydrofluorene is sourced from PubChem (CID 144926060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).