6-tert-butyl-1-[(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C43H64O2 — CID 162269819

IUPAC6-tert-butyl-1-[(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCOC1C(c2ccccc2)C2CC(C)C(CC3C(C)CC4C3CC(C(C)(C)C)C(OC)C4c3ccccc3)C2CC1C(C)(C)C
InChIInChI=1S/C43H64O2/c1-26-21-34-32(24-36(42(3,4)5)40(44-9)38(34)28-17-13-11-14-18-28)30(26)23-31-27(2)22-35-33(31)25-37(43(6,7)8)41(45-10)39(35)29-19-15-12-16-20-29/h11-20,26-27,30-41H,21-25H2,1-10H3
InChIKeyZFNAAORODQSXDL-UHFFFAOYSA-N
MW612.98 g/mol
LogP10.88
Rot. Bonds6

About 6-tert-butyl-1-[(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

6-tert-butyl-1-[(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 162269819) has the molecular formula C43H64O2 and a molecular weight of 612.98 g/mol. Its IUPAC name is 6-tert-butyl-1-[(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name6-tert-butyl-1-[(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID162269819
Molecular FormulaC43H64O2
Molecular Weight612.98 g/mol
Exact Mass612.49
IUPAC Name6-tert-butyl-1-[(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCOC1C(c2ccccc2)C2CC(C)C(CC3C(C)CC4C3CC(C(C)(C)C)C(OC)C4c3ccccc3)C2CC1C(C)(C)C
InChIInChI=1S/C43H64O2/c1-26-21-34-32(24-36(42(3,4)5)40(44-9)38(34)28-17-13-11-14-18-28)30(26)23-31-27(2)22-35-33(31)25-37(43(6,7)8)41(45-10)39(35)29-19-15-12-16-20-29/h11-20,26-27,30-41H,21-25H2,1-10H3
InChIKeyZFNAAORODQSXDL-UHFFFAOYSA-N
XLogP10.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.98
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-1-[(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene with MolForge

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Related Compounds

6-tert-butyl-4-(4-tert-butylphenyl)-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;6-tert-butyl-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(dichlorozirconium(2+))
CID 162294681
1-[[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-4-(3,5-ditert-butylphenyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene;carbanide;dichlorozirconium(2+)
CID 162294637
[(1S)-2-tert-butylcyclopropyl]benzene
CID 59541250
[(1R,2S,3S)-2-ethynyl-3-methoxycyclopropyl]benzene
CID 91147998
(2-ethenyl-3-methoxycyclopropyl)benzene
CID 85271812
(1S,3S,4S,5S)-3-tert-butyl-4-phenylbicyclo[3.1.0]hexan-2-one
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methyl-bis(2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-[(2-methylpropan-2-yl)oxymethyl]silane
CID 123669309
9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
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ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-[(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 6-tert-butyl-1-[(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 162269819) is 6-tert-butyl-1-[(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 6-tert-butyl-1-[(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 6-tert-butyl-1-[(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is COC1C(c2ccccc2)C2CC(C)C(CC3C(C)CC4C3CC(C(C)(C)C)C(OC)C4c3ccccc3)C2CC1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-1-[(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is ZFNAAORODQSXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H64O2/c1-26-21-34-32(24-36(42(3,4)5)40(44-9)38(34)28-17-13-11-14-18-28)30(26)23-31-27(2)22-35-33(31)25-37(43(6,7)8)41(45-10)39(35)29-19-15-12-16-20-29/h11-20,26-27,30-41H,21-25H2,1-10H3.
What are the key properties of 6-tert-butyl-1-[(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
6-tert-butyl-1-[(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 612.98 g/mol, XLogP of 10.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-[(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 162269819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).