2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene

C42H42O — CID 158268251

IUPAC2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene
SMILESO=C1CCCc2ccccc21.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C10H10O.C10H12.C9H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1/h1-8H,9H2;1-2,4,6H,3,5,7H2;1-2,5-6H,3-4,7-8H2;1-2,4-5H,3,6-7H2
InChIKeyGISJSOXIWJITLD-UHFFFAOYSA-N
MW562.80 g/mol
LogP10.20
Rot. Bonds

About 2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene

2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene (PubChem CID 158268251) has the molecular formula C42H42O and a molecular weight of 562.80 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene
PubChem CID158268251
Molecular FormulaC42H42O
Molecular Weight562.80 g/mol
Exact Mass562.32
IUPAC Name2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene
SMILESO=C1CCCc2ccccc21.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C10H10O.C10H12.C9H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1/h1-8H,9H2;1-2,4,6H,3,5,7H2;1-2,5-6H,3-4,7-8H2;1-2,4-5H,3,6-7H2
InChIKeyGISJSOXIWJITLD-UHFFFAOYSA-N
XLogP10.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.80
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene (CID 158268251) is 2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene is O=C1CCCc2ccccc21.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene?
The InChIKey is GISJSOXIWJITLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C10H10O.C10H12.C9H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;11-10-7-3-5-8-4-1-2-6-9(8)10;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1/h1-8H,9H2;1-2,4,6H,3,5,7H2;1-2,5-6H,3-4,7-8H2;1-2,4-5H,3,6-7H2.
What are the key properties of 2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene?
2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene has a molecular weight of 562.80 g/mol, XLogP of 10.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene;3,4-dihydro-2H-naphthalen-1-one;9H-fluorene;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 158268251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).