6-tert-butyl-1-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-2-methyl-5-(2-methylpropoxy)-4-phenyl-1H-indene

C44H50O — CID 172772680

IUPAC6-tert-butyl-1-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-2-methyl-5-(2-methylpropoxy)-4-phenyl-1H-indene
SMILESCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1C1C(C)=Cc2c1cc(C(C)(C)C)c(OCC(C)C)c2-c1ccccc1
InChIInChI=1S/C44H50O/c1-27(2)26-45-42-38(44(8,9)10)25-37-36(41(42)31-15-12-11-13-16-31)24-29(4)40(37)39-28(3)23-35-33(17-14-18-34(35)39)30-19-21-32(22-20-30)43(5,6)7/h11-25,27,39-40H,26H2,1-10H3
InChIKeyNEEGTKUYJXZLSI-UHFFFAOYSA-N
MW594.88 g/mol
LogP12.35
Rot. Bonds6

About 6-tert-butyl-1-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-2-methyl-5-(2-methylpropoxy)-4-phenyl-1H-indene

6-tert-butyl-1-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-2-methyl-5-(2-methylpropoxy)-4-phenyl-1H-indene (PubChem CID 172772680) has the molecular formula C44H50O and a molecular weight of 594.88 g/mol. Its IUPAC name is 6-tert-butyl-1-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-2-methyl-5-(2-methylpropoxy)-4-phenyl-1H-indene.

Molecular Properties

Compound Name6-tert-butyl-1-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-2-methyl-5-(2-methylpropoxy)-4-phenyl-1H-indene
PubChem CID172772680
Molecular FormulaC44H50O
Molecular Weight594.88 g/mol
Exact Mass594.39
IUPAC Name6-tert-butyl-1-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-2-methyl-5-(2-methylpropoxy)-4-phenyl-1H-indene
SMILESCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1C1C(C)=Cc2c1cc(C(C)(C)C)c(OCC(C)C)c2-c1ccccc1
InChIInChI=1S/C44H50O/c1-27(2)26-45-42-38(44(8,9)10)25-37-36(41(42)31-15-12-11-13-16-31)24-29(4)40(37)39-28(3)23-35-33(17-14-18-34(35)39)30-19-21-32(22-20-30)43(5,6)7/h11-25,27,39-40H,26H2,1-10H3
InChIKeyNEEGTKUYJXZLSI-UHFFFAOYSA-N
XLogP12.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.88
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane
CID 22994910
CID 162724348
CID 162724348
[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane
CID 71231056
CID 142753465
CID 142753465
(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane
CID 71231037
5-[6-tert-butyl-4-(2,4-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-8-(4-tert-butylphenyl)-6-methyl-1,2,3,5-tetrahydro-s-indacene
CID 153321034
7-(4-tert-butylphenyl)-2-methyl-1H-indene;[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane;chloro-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane
CID 159088196
[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane
CID 90229254
CID 91311200
CID 91311200
dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane
CID 162291107
2-(bromomethyl)-1-[2-(bromomethyl)-5-tert-butyl-4-methoxy-3-(4-phenylphenyl)phenyl]-5-tert-butyl-4-methoxy-3-(4-phenylphenyl)benzene
CID 101253495
4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene
CID 173239126

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-2-methyl-5-(2-methylpropoxy)-4-phenyl-1H-indene?
The IUPAC name of 6-tert-butyl-1-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-2-methyl-5-(2-methylpropoxy)-4-phenyl-1H-indene (CID 172772680) is 6-tert-butyl-1-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-2-methyl-5-(2-methylpropoxy)-4-phenyl-1H-indene.
What is the SMILES notation for 6-tert-butyl-1-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-2-methyl-5-(2-methylpropoxy)-4-phenyl-1H-indene?
The canonical SMILES for 6-tert-butyl-1-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-2-methyl-5-(2-methylpropoxy)-4-phenyl-1H-indene is CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1C1C(C)=Cc2c1cc(C(C)(C)C)c(OCC(C)C)c2-c1ccccc1.
What is the InChIKey of 6-tert-butyl-1-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-2-methyl-5-(2-methylpropoxy)-4-phenyl-1H-indene?
The InChIKey is NEEGTKUYJXZLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H50O/c1-27(2)26-45-42-38(44(8,9)10)25-37-36(41(42)31-15-12-11-13-16-31)24-29(4)40(37)39-28(3)23-35-33(17-14-18-34(35)39)30-19-21-32(22-20-30)43(5,6)7/h11-25,27,39-40H,26H2,1-10H3.
What are the key properties of 6-tert-butyl-1-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-2-methyl-5-(2-methylpropoxy)-4-phenyl-1H-indene?
6-tert-butyl-1-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-2-methyl-5-(2-methylpropoxy)-4-phenyl-1H-indene has a molecular weight of 594.88 g/mol, XLogP of 12.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-2-methyl-5-(2-methylpropoxy)-4-phenyl-1H-indene is sourced from PubChem (CID 172772680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).