(3aR)-1-[2-[(3aR)-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-indene

C42H54 — CID 59107372

IUPAC(3aR)-1-[2-[(3aR)-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCC1C[C@H]2C(c3ccc(C(C)(C)C)cc3)=CC=CC2C1CCC1C(C)C[C@H]2C(c3ccc(C(C)(C)C)cc3)=CC=CC12
InChIInChI=1S/C42H54/c1-27-25-39-35(29-15-19-31(20-16-29)41(3,4)5)11-9-13-37(39)33(27)23-24-34-28(2)26-40-36(12-10-14-38(34)40)30-17-21-32(22-18-30)42(6,7)8/h9-22,27-28,33-34,37-40H,23-26H2,1-8H3/t27?,28?,33?,34?,37?,38?,39-,40-/m0/s1
InChIKeyPRMXXDJIQNOIMP-UWLDYBCSSA-N
MW558.89 g/mol
LogP11.45
Rot. Bonds5

About (3aR)-1-[2-[(3aR)-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-indene

(3aR)-1-[2-[(3aR)-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 59107372) has the molecular formula C42H54 and a molecular weight of 558.89 g/mol. Its IUPAC name is (3aR)-1-[2-[(3aR)-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name(3aR)-1-[2-[(3aR)-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID59107372
Molecular FormulaC42H54
Molecular Weight558.89 g/mol
Exact Mass558.42
IUPAC Name(3aR)-1-[2-[(3aR)-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-indene
SMILESCC1C[C@H]2C(c3ccc(C(C)(C)C)cc3)=CC=CC2C1CCC1C(C)C[C@H]2C(c3ccc(C(C)(C)C)cc3)=CC=CC12
InChIInChI=1S/C42H54/c1-27-25-39-35(29-15-19-31(20-16-29)41(3,4)5)11-9-13-37(39)33(27)23-24-34-28(2)26-40-36(12-10-14-38(34)40)30-17-21-32(22-18-30)42(6,7)8/h9-22,27-28,33-34,37-40H,23-26H2,1-8H3/t27?,28?,33?,34?,37?,38?,39-,40-/m0/s1
InChIKeyPRMXXDJIQNOIMP-UWLDYBCSSA-N
XLogP11.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.89
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3aR)-1-[2-[(3aR)-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-indene with MolForge

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Launch Full Analysis

Related Compounds

bis[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane
CID 156627158
bis[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 59227036
1-aza-3,5-diazanidacyclohex-1-yl-[4-(4-tert-butylphenyl)-2-ethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorotitanium(4+)
CID 58634161
2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene
CID 162298446
[4-(4-tert-butylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(2-methyl-4,8-diphenyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacen-1-yl)silane
CID 72574460
bis[4-(4-tert-butylphenyl)-2-(cyclohexylmethyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-methyl-propylsilane;carbanide;dichlorozirconium(2+)
CID 162291574
carbanide;dichlorozirconium(2+);2-methyl-1-[3-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)propyl]-4-phenyl-1H-indene
CID 162298445
bis[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane
CID 140679013
[4-(4-ethylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-[2-methyl-4-[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]silane
CID 162289724
[4-(4-tert-butylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-piperazin-4-id-1-ylsilane;carbanide;dichlorotitanium
CID 58634465
1-(2-methylbutyl)-1-(2-methyl-4-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silinane
CID 162289121
[(7aR)-4-(4-tert-butylphenyl)-3a,7a-dihydro-2H-benzimidazol-3-id-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;dichlorotitanium
CID 58634283

Frequently Asked Questions

What is the IUPAC name of (3aR)-1-[2-[(3aR)-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of (3aR)-1-[2-[(3aR)-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-indene (CID 59107372) is (3aR)-1-[2-[(3aR)-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for (3aR)-1-[2-[(3aR)-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for (3aR)-1-[2-[(3aR)-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-indene is CC1C[C@H]2C(c3ccc(C(C)(C)C)cc3)=CC=CC2C1CCC1C(C)C[C@H]2C(c3ccc(C(C)(C)C)cc3)=CC=CC12.
What is the InChIKey of (3aR)-1-[2-[(3aR)-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is PRMXXDJIQNOIMP-UWLDYBCSSA-N. The full InChI is InChI=1S/C42H54/c1-27-25-39-35(29-15-19-31(20-16-29)41(3,4)5)11-9-13-37(39)33(27)23-24-34-28(2)26-40-36(12-10-14-38(34)40)30-17-21-32(22-18-30)42(6,7)8/h9-22,27-28,33-34,37-40H,23-26H2,1-8H3/t27?,28?,33?,34?,37?,38?,39-,40-/m0/s1.
What are the key properties of (3aR)-1-[2-[(3aR)-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-indene?
(3aR)-1-[2-[(3aR)-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 558.89 g/mol, XLogP of 11.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-1-[2-[(3aR)-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 59107372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).