bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene);bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);cyclopentane;9H-fluorene

C60H92 — CID 162275077

IUPACbis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene);bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);cyclopentane;9H-fluorene
SMILESC1CC2CC3CCCC3CC2C1.C1CC2CC3CCCC3CC2C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.C1CCCC1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.2C12H20.2C9H16.C5H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-9-7-11-5-2-6-12(11)8-10(9)4-1;2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1/h1-8H,9H2;2*9-12H,1-8H2;2*8-9H,1-7H2;1-5H2
InChIKeyGUOVPTRYPUHMMM-UHFFFAOYSA-N
MW813.40 g/mol
LogP18.39
Rot. Bonds

About bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene);bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);cyclopentane;9H-fluorene

bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene);bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);cyclopentane;9H-fluorene (PubChem CID 162275077) has the molecular formula C60H92 and a molecular weight of 813.40 g/mol. Its IUPAC name is bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene);bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);cyclopentane;9H-fluorene.

Molecular Properties

Compound Namebis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene);bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);cyclopentane;9H-fluorene
PubChem CID162275077
Molecular FormulaC60H92
Molecular Weight813.40 g/mol
Exact Mass812.72
IUPAC Namebis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene);bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);cyclopentane;9H-fluorene
SMILESC1CC2CC3CCCC3CC2C1.C1CC2CC3CCCC3CC2C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.C1CCCC1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.2C12H20.2C9H16.C5H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-9-7-11-5-2-6-12(11)8-10(9)4-1;2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1/h1-8H,9H2;2*9-12H,1-8H2;2*8-9H,1-7H2;1-5H2
InChIKeyGUOVPTRYPUHMMM-UHFFFAOYSA-N
XLogP18.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.40
LogP ≤ 518.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene);bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);cyclopentane;9H-fluorene with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene);bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);cyclopentane;9H-fluorene?
The IUPAC name of bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene);bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);cyclopentane;9H-fluorene (CID 162275077) is bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene);bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);cyclopentane;9H-fluorene.
What is the SMILES notation for bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene);bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);cyclopentane;9H-fluorene?
The canonical SMILES for bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene);bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);cyclopentane;9H-fluorene is C1CC2CC3CCCC3CC2C1.C1CC2CC3CCCC3CC2C1.C1CCC2CCCC2C1.C1CCC2CCCC2C1.C1CCCC1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene);bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);cyclopentane;9H-fluorene?
The InChIKey is GUOVPTRYPUHMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.2C12H20.2C9H16.C5H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-9-7-11-5-2-6-12(11)8-10(9)4-1;2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1/h1-8H,9H2;2*9-12H,1-8H2;2*8-9H,1-7H2;1-5H2.
What are the key properties of bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene);bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);cyclopentane;9H-fluorene?
bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene);bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);cyclopentane;9H-fluorene has a molecular weight of 813.40 g/mol, XLogP of 18.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene);bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);cyclopentane;9H-fluorene is sourced from PubChem (CID 162275077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).