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

C37H40 — CID 157481763

IUPAC4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[2-(1H-inden-4-yl)propan-2-yl]-2,4,5,6,7,8-hexahydroazulene
SMILESC1=CC(Cc2cccc3c2C=CC3)C=C1.CC(C)(c1cccc2c1C=CC2)C1C=C2CCCCCC2=C1
InChIInChI=1S/C22H26.C15H14/c1-22(2,21-13-7-11-16-10-6-12-20(16)21)19-14-17-8-4-3-5-9-18(17)15-19;1-2-6-12(5-1)11-14-9-3-7-13-8-4-10-15(13)14/h6-7,11-15,19H,3-5,8-10H2,1-2H3;1-7,9-10,12H,8,11H2
InChIKeyBWFXQCQKMMQPBG-UHFFFAOYSA-N
MW484.73 g/mol
LogP9.52
Rot. Bonds4

About 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

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 (PubChem CID 157481763) has the molecular formula C37H40 and a molecular weight of 484.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[2-(1H-inden-4-yl)propan-2-yl]-2,4,5,6,7,8-hexahydroazulene
PubChem CID157481763
Molecular FormulaC37H40
Molecular Weight484.73 g/mol
Exact Mass484.31
IUPAC Name4-(cyclopenta-2,4-dien-1-ylmethyl)-1H-indene;2-[2-(1H-inden-4-yl)propan-2-yl]-2,4,5,6,7,8-hexahydroazulene
SMILESC1=CC(Cc2cccc3c2C=CC3)C=C1.CC(C)(c1cccc2c1C=CC2)C1C=C2CCCCCC2=C1
InChIInChI=1S/C22H26.C15H14/c1-22(2,21-13-7-11-16-10-6-12-20(16)21)19-14-17-8-4-3-5-9-18(17)15-19;1-2-6-12(5-1)11-14-9-3-7-13-8-4-10-15(13)14/h6-7,11-15,19H,3-5,8-10H2,1-2H3;1-7,9-10,12H,8,11H2
InChIKeyBWFXQCQKMMQPBG-UHFFFAOYSA-N
XLogP9.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.73
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

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
4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene
CID 23590991
1,1,1,3,3,3-hexafluoro-2-(1H-inden-4-yl)propan-2-ol
CID 90057089
4-propyl-1H-indene
CID 18314956
4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene
CID 142734727
9-tert-butyl-3H-cyclopenta[a]naphthalene
CID 148527121
2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide
CID 23571636
1H-inden-4-amine;methanamine
CID 174766313
4-[[1-(2-methylpropoxy)-2-phenylethenoxy]methyl]-1H-indene
CID 67527926
bis(3aH-indene);benzene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);tridecakis(2,2-dimethylpropane);1H-indene;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene
CID 157351867
bis(3aH-indene);benzene;cyclobutane;cyclohexane;bis(cyclopenta-1,3-diene);cyclopentane;cyclopentene;bis(2,3-dihydro-1H-indene);pentadecakis(2,2-dimethylpropane);1H-indene;methane;naphthalene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene
CID 159335923
4-[3-cyclohexyl-5-(4-methylidenecycloheptyl)phenyl]-1H-indene
CID 123144450

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC(Cc2cccc3c2C=CC3)C=C1.CC(C)(c1cccc2c1C=CC2)C1C=C2CCCCCC2=C1.
What is the InChIKey of 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?
The InChIKey is BWFXQCQKMMQPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26.C15H14/c1-22(2,21-13-7-11-16-10-6-12-20(16)21)19-14-17-8-4-3-5-9-18(17)15-19;1-2-6-12(5-1)11-14-9-3-7-13-8-4-10-15(13)14/h6-7,11-15,19H,3-5,8-10H2,1-2H3;1-7,9-10,12H,8,11H2.
What are the key properties of 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?
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 has a molecular weight of 484.73 g/mol, XLogP of 9.52, 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-[2-(1H-inden-4-yl)propan-2-yl]-2,4,5,6,7,8-hexahydroazulene is sourced from PubChem (CID 157481763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).