9-cyclopenta-1,3-dien-1-yl-6-(3-ethylhexyl)-3-methylidene-2,6-dihydro-1H-cyclopenta[c]fluorene;methane

C31H38 — CID 144788879

IUPAC9-cyclopenta-1,3-dien-1-yl-6-(3-ethylhexyl)-3-methylidene-2,6-dihydro-1H-cyclopenta[c]fluorene;methane
SMILESC.C=C1CCc2c1ccc1c2-c2cc(C3=CC=CC3)ccc2C1CCC(CC)CCC
InChIInChI=1S/C30H34.CH4/c1-4-8-21(5-2)12-15-25-26-16-13-23(22-9-6-7-10-22)19-29(26)30-27-14-11-20(3)24(27)17-18-28(25)30;/h6-7,9,13,16-19,21,25H,3-5,8,10-12,14-15H2,1-2H3;1H4
InChIKeyRUDZLDLATSJDKX-UHFFFAOYSA-N
MW410.65 g/mol
LogP9.34
Rot. Bonds7

About 9-cyclopenta-1,3-dien-1-yl-6-(3-ethylhexyl)-3-methylidene-2,6-dihydro-1H-cyclopenta[c]fluorene;methane

9-cyclopenta-1,3-dien-1-yl-6-(3-ethylhexyl)-3-methylidene-2,6-dihydro-1H-cyclopenta[c]fluorene;methane (PubChem CID 144788879) has the molecular formula C31H38 and a molecular weight of 410.65 g/mol. Its IUPAC name is 9-cyclopenta-1,3-dien-1-yl-6-(3-ethylhexyl)-3-methylidene-2,6-dihydro-1H-cyclopenta[c]fluorene;methane.

Molecular Properties

Compound Name9-cyclopenta-1,3-dien-1-yl-6-(3-ethylhexyl)-3-methylidene-2,6-dihydro-1H-cyclopenta[c]fluorene;methane
PubChem CID144788879
Molecular FormulaC31H38
Molecular Weight410.65 g/mol
Exact Mass410.30
IUPAC Name9-cyclopenta-1,3-dien-1-yl-6-(3-ethylhexyl)-3-methylidene-2,6-dihydro-1H-cyclopenta[c]fluorene;methane
SMILESC.C=C1CCc2c1ccc1c2-c2cc(C3=CC=CC3)ccc2C1CCC(CC)CCC
InChIInChI=1S/C30H34.CH4/c1-4-8-21(5-2)12-15-25-26-16-13-23(22-9-6-7-10-22)19-29(26)30-27-14-11-20(3)24(27)17-18-28(25)30;/h6-7,9,13,16-19,21,25H,3-5,8,10-12,14-15H2,1-2H3;1H4
InChIKeyRUDZLDLATSJDKX-UHFFFAOYSA-N
XLogP9.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.65
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-cyclopenta-1,4-dien-1-yl-6-(3-ethylpentyl)-2,6-dihydro-1H-cyclopenta[c]fluoren-3-one
CID 144788765
2-cyclopenta-1,3-dien-1-yl-9-propyl-9H-fluorene
CID 90787993
9-(2,3-dihydro-1H-pyrrol-2-yl)-6-(3-ethylpentyl)-2,6-dihydro-1H-cyclopenta[c]fluoren-3-one;ethane
CID 144788812
2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene]
CID 158389745
9-(1,3-oxazol-2-yl)-6-(4-propylheptylidene)-1,2-dihydrocyclopenta[c]fluoren-3-one
CID 123301168
4-ethylheptane;methane
CID 143165373
3-ethylhexylcyclopentane
CID 123372890
3-methylidene-6-pentan-3-yl-1,2-dihydroindene
CID 143457276
1-cyclopenta-1,3-dien-1-yl-4-methylbenzene;toluene
CID 144640126
2-hexan-3-yl-4-[4-(4-hydroxyphenyl)cyclohexa-1,3-dien-1-yl]phenol
CID 67512455
1-cyclopenta-1,3-dien-1-yl-4-ethynylbenzene
CID 101449090
N-[1-(4-cyclopenta-1,3-dien-1-ylphenyl)ethenyl]-3-methylaniline
CID 143032212

Frequently Asked Questions

What is the IUPAC name of 9-cyclopenta-1,3-dien-1-yl-6-(3-ethylhexyl)-3-methylidene-2,6-dihydro-1H-cyclopenta[c]fluorene;methane?
The IUPAC name of 9-cyclopenta-1,3-dien-1-yl-6-(3-ethylhexyl)-3-methylidene-2,6-dihydro-1H-cyclopenta[c]fluorene;methane (CID 144788879) is 9-cyclopenta-1,3-dien-1-yl-6-(3-ethylhexyl)-3-methylidene-2,6-dihydro-1H-cyclopenta[c]fluorene;methane.
What is the SMILES notation for 9-cyclopenta-1,3-dien-1-yl-6-(3-ethylhexyl)-3-methylidene-2,6-dihydro-1H-cyclopenta[c]fluorene;methane?
The canonical SMILES for 9-cyclopenta-1,3-dien-1-yl-6-(3-ethylhexyl)-3-methylidene-2,6-dihydro-1H-cyclopenta[c]fluorene;methane is C.C=C1CCc2c1ccc1c2-c2cc(C3=CC=CC3)ccc2C1CCC(CC)CCC.
What is the InChIKey of 9-cyclopenta-1,3-dien-1-yl-6-(3-ethylhexyl)-3-methylidene-2,6-dihydro-1H-cyclopenta[c]fluorene;methane?
The InChIKey is RUDZLDLATSJDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34.CH4/c1-4-8-21(5-2)12-15-25-26-16-13-23(22-9-6-7-10-22)19-29(26)30-27-14-11-20(3)24(27)17-18-28(25)30;/h6-7,9,13,16-19,21,25H,3-5,8,10-12,14-15H2,1-2H3;1H4.
What are the key properties of 9-cyclopenta-1,3-dien-1-yl-6-(3-ethylhexyl)-3-methylidene-2,6-dihydro-1H-cyclopenta[c]fluorene;methane?
9-cyclopenta-1,3-dien-1-yl-6-(3-ethylhexyl)-3-methylidene-2,6-dihydro-1H-cyclopenta[c]fluorene;methane has a molecular weight of 410.65 g/mol, XLogP of 9.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopenta-1,3-dien-1-yl-6-(3-ethylhexyl)-3-methylidene-2,6-dihydro-1H-cyclopenta[c]fluorene;methane is sourced from PubChem (CID 144788879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).