4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[(1-methyl-1H-inden-4-yl)methyl]-2,4,5,6,7,8-hexahydroazulene

C36H38 — CID 159834220

IUPAC4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[(1-methyl-1H-inden-4-yl)methyl]-2,4,5,6,7,8-hexahydroazulene
SMILESC1=CC(Cc2cccc3c2C=CC3)C=C1.CC1C=Cc2c(CC3C=C4CCCCCC4=C3)cccc21
InChIInChI=1S/C21H24.C15H14/c1-15-10-11-21-19(8-5-9-20(15)21)14-16-12-17-6-3-2-4-7-18(17)13-16;1-2-6-12(5-1)11-14-9-3-7-13-8-4-10-15(13)14/h5,8-13,15-16H,2-4,6-7,14H2,1H3;1-7,9-10,12H,8,11H2
InChIKeyNNVUOPUAAZPBAG-UHFFFAOYSA-N
MW470.70 g/mol
LogP9.35
Rot. Bonds4

About 4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[(1-methyl-1H-inden-4-yl)methyl]-2,4,5,6,7,8-hexahydroazulene

4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[(1-methyl-1H-inden-4-yl)methyl]-2,4,5,6,7,8-hexahydroazulene (PubChem CID 159834220) has the molecular formula C36H38 and a molecular weight of 470.70 g/mol. Its IUPAC name is 4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[(1-methyl-1H-inden-4-yl)methyl]-2,4,5,6,7,8-hexahydroazulene.

Molecular Properties

Compound Name4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[(1-methyl-1H-inden-4-yl)methyl]-2,4,5,6,7,8-hexahydroazulene
PubChem CID159834220
Molecular FormulaC36H38
Molecular Weight470.70 g/mol
Exact Mass470.30
IUPAC Name4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[(1-methyl-1H-inden-4-yl)methyl]-2,4,5,6,7,8-hexahydroazulene
SMILESC1=CC(Cc2cccc3c2C=CC3)C=C1.CC1C=Cc2c(CC3C=C4CCCCCC4=C3)cccc21
InChIInChI=1S/C21H24.C15H14/c1-15-10-11-21-19(8-5-9-20(15)21)14-16-12-17-6-3-2-4-7-18(17)13-16;1-2-6-12(5-1)11-14-9-3-7-13-8-4-10-15(13)14/h5,8-13,15-16H,2-4,6-7,14H2,1H3;1-7,9-10,12H,8,11H2
InChIKeyNNVUOPUAAZPBAG-UHFFFAOYSA-N
XLogP9.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.70
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[(1-methyl-1H-inden-4-yl)methyl]-2,4,5,6,7,8-hexahydroazulene with MolForge

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Related Compounds

4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[2-(1H-inden-4-yl)propan-2-yl]-2,4,5,6,7,8-hexahydroazulene
CID 157481763
4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene
CID 23590991
4-propyl-1H-indene
CID 18314956
4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene
CID 142734727
4-chloro-1-methyl-1H-indene
CID 141174083
3-(1H-inden-4-yl)cyclobutan-1-ol
CID 176717731
1H-inden-4-amine;methanamine
CID 174766313
4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]-1H-indene
CID 67527926
1-(1H-inden-4-yl)-2-methylnaphthalene
CID 57037744
1,4-dimethyl-1,4-dihydronaphthalene
CID 13283200
2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide
CID 23571636
4,5-dicyclohexyl-1H-indene
CID 173356994

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[(1-methyl-1H-inden-4-yl)methyl]-2,4,5,6,7,8-hexahydroazulene?
The IUPAC name of 4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[(1-methyl-1H-inden-4-yl)methyl]-2,4,5,6,7,8-hexahydroazulene (CID 159834220) is 4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[(1-methyl-1H-inden-4-yl)methyl]-2,4,5,6,7,8-hexahydroazulene.
What is the SMILES notation for 4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[(1-methyl-1H-inden-4-yl)methyl]-2,4,5,6,7,8-hexahydroazulene?
The canonical SMILES for 4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[(1-methyl-1H-inden-4-yl)methyl]-2,4,5,6,7,8-hexahydroazulene is C1=CC(Cc2cccc3c2C=CC3)C=C1.CC1C=Cc2c(CC3C=C4CCCCCC4=C3)cccc21.
What is the InChIKey of 4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[(1-methyl-1H-inden-4-yl)methyl]-2,4,5,6,7,8-hexahydroazulene?
The InChIKey is NNVUOPUAAZPBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24.C15H14/c1-15-10-11-21-19(8-5-9-20(15)21)14-16-12-17-6-3-2-4-7-18(17)13-16;1-2-6-12(5-1)11-14-9-3-7-13-8-4-10-15(13)14/h5,8-13,15-16H,2-4,6-7,14H2,1H3;1-7,9-10,12H,8,11H2.
What are the key properties of 4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[(1-methyl-1H-inden-4-yl)methyl]-2,4,5,6,7,8-hexahydroazulene?
4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[(1-methyl-1H-inden-4-yl)methyl]-2,4,5,6,7,8-hexahydroazulene has a molecular weight of 470.70 g/mol, XLogP of 9.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[(1-methyl-1H-inden-4-yl)methyl]-2,4,5,6,7,8-hexahydroazulene is sourced from PubChem (CID 159834220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).