1,2,3,4,6,7,8,9,10,12-decahydroindeno[1,2-b]fluorene

C20H22 — CID 14791658

IUPAC1,2,3,4,6,7,8,9,10,12-decahydroindeno[1,2-b]fluorene
SMILESc1c2c(cc3c1C1=C(CCCC1)C3)C1=C(CCCC1)C2
InChIInChI=1S/C20H22/c1-3-7-17-13(5-1)9-15-11-20-16(12-19(15)17)10-14-6-2-4-8-18(14)20/h11-12H,1-10H2
InChIKeySQLJFQAQTKKIDS-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.45
Rot. Bonds

About 1,2,3,4,6,7,8,9,10,12-decahydroindeno[1,2-b]fluorene

1,2,3,4,6,7,8,9,10,12-decahydroindeno[1,2-b]fluorene (PubChem CID 14791658) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1,2,3,4,6,7,8,9,10,12-decahydroindeno[1,2-b]fluorene.

Molecular Properties

Compound Name1,2,3,4,6,7,8,9,10,12-decahydroindeno[1,2-b]fluorene
PubChem CID14791658
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name1,2,3,4,6,7,8,9,10,12-decahydroindeno[1,2-b]fluorene
SMILESc1c2c(cc3c1C1=C(CCCC1)C3)C1=C(CCCC1)C2
InChIInChI=1S/C20H22/c1-3-7-17-13(5-1)9-15-11-20-16(12-19(15)17)10-14-6-2-4-8-18(14)20/h11-12H,1-10H2
InChIKeySQLJFQAQTKKIDS-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8,9,10,12-decahydroindeno[1,2-b]fluorene?
The IUPAC name of 1,2,3,4,6,7,8,9,10,12-decahydroindeno[1,2-b]fluorene (CID 14791658) is 1,2,3,4,6,7,8,9,10,12-decahydroindeno[1,2-b]fluorene.
What is the SMILES notation for 1,2,3,4,6,7,8,9,10,12-decahydroindeno[1,2-b]fluorene?
The canonical SMILES for 1,2,3,4,6,7,8,9,10,12-decahydroindeno[1,2-b]fluorene is c1c2c(cc3c1C1=C(CCCC1)C3)C1=C(CCCC1)C2.
What is the InChIKey of 1,2,3,4,6,7,8,9,10,12-decahydroindeno[1,2-b]fluorene?
The InChIKey is SQLJFQAQTKKIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-3-7-17-13(5-1)9-15-11-20-16(12-19(15)17)10-14-6-2-4-8-18(14)20/h11-12H,1-10H2.
What are the key properties of 1,2,3,4,6,7,8,9,10,12-decahydroindeno[1,2-b]fluorene?
1,2,3,4,6,7,8,9,10,12-decahydroindeno[1,2-b]fluorene has a molecular weight of 262.40 g/mol, XLogP of 5.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,8,9,10,12-decahydroindeno[1,2-b]fluorene is sourced from PubChem (CID 14791658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).