1,8-bis(2,3,3a,7a-tetrahydro-1H-inden-2-yl)naphthalene

C28H28 — CID 140819186

IUPAC1,8-bis(2,3,3a,7a-tetrahydro-1H-inden-2-yl)naphthalene
SMILESC1=CC2CC(c3cccc4cccc(C5CC6C=CC=CC6C5)c34)CC2C=C1
InChIInChI=1S/C28H28/c1-2-8-21-16-24(15-20(21)7-1)26-13-5-11-19-12-6-14-27(28(19)26)25-17-22-9-3-4-10-23(22)18-25/h1-14,20-25H,15-18H2
InChIKeyRFMLIBOPIJMNGG-UHFFFAOYSA-N
MW364.53 g/mol
LogP7.31
Rot. Bonds2

About 1,8-bis(2,3,3a,7a-tetrahydro-1H-inden-2-yl)naphthalene

1,8-bis(2,3,3a,7a-tetrahydro-1H-inden-2-yl)naphthalene (PubChem CID 140819186) has the molecular formula C28H28 and a molecular weight of 364.53 g/mol. Its IUPAC name is 1,8-bis(2,3,3a,7a-tetrahydro-1H-inden-2-yl)naphthalene.

Molecular Properties

Compound Name1,8-bis(2,3,3a,7a-tetrahydro-1H-inden-2-yl)naphthalene
PubChem CID140819186
Molecular FormulaC28H28
Molecular Weight364.53 g/mol
Exact Mass364.22
IUPAC Name1,8-bis(2,3,3a,7a-tetrahydro-1H-inden-2-yl)naphthalene
SMILESC1=CC2CC(c3cccc4cccc(C5CC6C=CC=CC6C5)c34)CC2C=C1
InChIInChI=1S/C28H28/c1-2-8-21-16-24(15-20(21)7-1)26-13-5-11-19-12-6-14-27(28(19)26)25-17-22-9-3-4-10-23(22)18-25/h1-14,20-25H,15-18H2
InChIKeyRFMLIBOPIJMNGG-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,8-bis(2,3,3a,7a-tetrahydro-1H-inden-2-yl)naphthalene?
The IUPAC name of 1,8-bis(2,3,3a,7a-tetrahydro-1H-inden-2-yl)naphthalene (CID 140819186) is 1,8-bis(2,3,3a,7a-tetrahydro-1H-inden-2-yl)naphthalene.
What is the SMILES notation for 1,8-bis(2,3,3a,7a-tetrahydro-1H-inden-2-yl)naphthalene?
The canonical SMILES for 1,8-bis(2,3,3a,7a-tetrahydro-1H-inden-2-yl)naphthalene is C1=CC2CC(c3cccc4cccc(C5CC6C=CC=CC6C5)c34)CC2C=C1.
What is the InChIKey of 1,8-bis(2,3,3a,7a-tetrahydro-1H-inden-2-yl)naphthalene?
The InChIKey is RFMLIBOPIJMNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28/c1-2-8-21-16-24(15-20(21)7-1)26-13-5-11-19-12-6-14-27(28(19)26)25-17-22-9-3-4-10-23(22)18-25/h1-14,20-25H,15-18H2.
What are the key properties of 1,8-bis(2,3,3a,7a-tetrahydro-1H-inden-2-yl)naphthalene?
1,8-bis(2,3,3a,7a-tetrahydro-1H-inden-2-yl)naphthalene has a molecular weight of 364.53 g/mol, XLogP of 7.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis(2,3,3a,7a-tetrahydro-1H-inden-2-yl)naphthalene is sourced from PubChem (CID 140819186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).