1,2,4,5,6-pentamethyl-3-[[2,3,5,6,7-pentamethyl-4-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-7-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C51H80 — CID 90971590

IUPAC1,2,4,5,6-pentamethyl-3-[[2,3,5,6,7-pentamethyl-4-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-7-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCc1c(C)c(C)c(C2C(C)C(C)C(C)C3C(CC4C(C)C(C)C5C(c6c(C)c(C)c(C)c(C)c6C)C(C)C(C)C(C)C45)C(C)C(C)C23)c(C)c1C
InChIInChI=1S/C51H80/c1-22-24(3)32(11)44(33(12)25(22)4)48-38(17)28(7)36(15)46-42(30(9)40(19)50(46)48)21-43-31(10)41(20)51-47(43)37(16)29(8)39(18)49(51)45-34(13)26(5)23(2)27(6)35(45)14/h28-31,36-43,46-51H,21H2,1-20H3
InChIKeyIFLZCUKLKXBWSW-UHFFFAOYSA-N
MW693.20 g/mol
LogP14.14
Rot. Bonds4

About 1,2,4,5,6-pentamethyl-3-[[2,3,5,6,7-pentamethyl-4-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-7-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

1,2,4,5,6-pentamethyl-3-[[2,3,5,6,7-pentamethyl-4-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-7-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 90971590) has the molecular formula C51H80 and a molecular weight of 693.20 g/mol. Its IUPAC name is 1,2,4,5,6-pentamethyl-3-[[2,3,5,6,7-pentamethyl-4-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-7-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name1,2,4,5,6-pentamethyl-3-[[2,3,5,6,7-pentamethyl-4-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-7-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID90971590
Molecular FormulaC51H80
Molecular Weight693.20 g/mol
Exact Mass692.63
IUPAC Name1,2,4,5,6-pentamethyl-3-[[2,3,5,6,7-pentamethyl-4-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-7-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCc1c(C)c(C)c(C2C(C)C(C)C(C)C3C(CC4C(C)C(C)C5C(c6c(C)c(C)c(C)c(C)c6C)C(C)C(C)C(C)C45)C(C)C(C)C23)c(C)c1C
InChIInChI=1S/C51H80/c1-22-24(3)32(11)44(33(12)25(22)4)48-38(17)28(7)36(15)46-42(30(9)40(19)50(46)48)21-43-31(10)41(20)51-47(43)37(16)29(8)39(18)49(51)45-34(13)26(5)23(2)27(6)35(45)14/h28-31,36-43,46-51H,21H2,1-20H3
InChIKeyIFLZCUKLKXBWSW-UHFFFAOYSA-N
XLogP14.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.20
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,4,5,6-pentamethyl-3-[[2,3,5,6,7-pentamethyl-4-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-7-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,6-pentamethyl-3-[[2,3,5,6,7-pentamethyl-4-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-7-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 1,2,4,5,6-pentamethyl-3-[[2,3,5,6,7-pentamethyl-4-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-7-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 90971590) is 1,2,4,5,6-pentamethyl-3-[[2,3,5,6,7-pentamethyl-4-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-7-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 1,2,4,5,6-pentamethyl-3-[[2,3,5,6,7-pentamethyl-4-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-7-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 1,2,4,5,6-pentamethyl-3-[[2,3,5,6,7-pentamethyl-4-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-7-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is Cc1c(C)c(C)c(C2C(C)C(C)C(C)C3C(CC4C(C)C(C)C5C(c6c(C)c(C)c(C)c(C)c6C)C(C)C(C)C(C)C45)C(C)C(C)C23)c(C)c1C.
What is the InChIKey of 1,2,4,5,6-pentamethyl-3-[[2,3,5,6,7-pentamethyl-4-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-7-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is IFLZCUKLKXBWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H80/c1-22-24(3)32(11)44(33(12)25(22)4)48-38(17)28(7)36(15)46-42(30(9)40(19)50(46)48)21-43-31(10)41(20)51-47(43)37(16)29(8)39(18)49(51)45-34(13)26(5)23(2)27(6)35(45)14/h28-31,36-43,46-51H,21H2,1-20H3.
What are the key properties of 1,2,4,5,6-pentamethyl-3-[[2,3,5,6,7-pentamethyl-4-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-7-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
1,2,4,5,6-pentamethyl-3-[[2,3,5,6,7-pentamethyl-4-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-7-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 693.20 g/mol, XLogP of 14.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,6-pentamethyl-3-[[2,3,5,6,7-pentamethyl-4-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-7-(2,3,4,5,6-pentamethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 90971590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).