2-[2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-4-tert-butylphenyl]-5-tert-butylphenyl]-2,3,3a,7a-tetrahydro-1H-indene

C38H46 — CID 140807096

IUPAC2-[2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-4-tert-butylphenyl]-5-tert-butylphenyl]-2,3,3a,7a-tetrahydro-1H-indene
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2C2CC3C=CC=CC3C2)c(C2CC3C=CC=CC3C2)c1
InChIInChI=1S/C38H46/c1-37(2,3)31-15-17-33(35(23-31)29-19-25-11-7-8-12-26(25)20-29)34-18-16-32(38(4,5)6)24-36(34)30-21-27-13-9-10-14-28(27)22-30/h7-18,23-30H,19-22H2,1-6H3
InChIKeyUTGZJOHGGCLFIQ-UHFFFAOYSA-N
MW502.79 g/mol
LogP10.42
Rot. Bonds3

About 2-[2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-4-tert-butylphenyl]-5-tert-butylphenyl]-2,3,3a,7a-tetrahydro-1H-indene

2-[2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-4-tert-butylphenyl]-5-tert-butylphenyl]-2,3,3a,7a-tetrahydro-1H-indene (PubChem CID 140807096) has the molecular formula C38H46 and a molecular weight of 502.79 g/mol. Its IUPAC name is 2-[2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-4-tert-butylphenyl]-5-tert-butylphenyl]-2,3,3a,7a-tetrahydro-1H-indene.

Molecular Properties

Compound Name2-[2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-4-tert-butylphenyl]-5-tert-butylphenyl]-2,3,3a,7a-tetrahydro-1H-indene
PubChem CID140807096
Molecular FormulaC38H46
Molecular Weight502.79 g/mol
Exact Mass502.36
IUPAC Name2-[2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-4-tert-butylphenyl]-5-tert-butylphenyl]-2,3,3a,7a-tetrahydro-1H-indene
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2C2CC3C=CC=CC3C2)c(C2CC3C=CC=CC3C2)c1
InChIInChI=1S/C38H46/c1-37(2,3)31-15-17-33(35(23-31)29-19-25-11-7-8-12-26(25)20-29)34-18-16-32(38(4,5)6)24-36(34)30-21-27-13-9-10-14-28(27)22-30/h7-18,23-30H,19-22H2,1-6H3
InChIKeyUTGZJOHGGCLFIQ-UHFFFAOYSA-N
XLogP10.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.79
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-4-tert-butylphenyl]-5-tert-butylphenyl]-2,3,3a,7a-tetrahydro-1H-indene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-4-tert-butylphenyl]-5-tert-butylphenyl]-2,3,3a,7a-tetrahydro-1H-indene?
The IUPAC name of 2-[2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-4-tert-butylphenyl]-5-tert-butylphenyl]-2,3,3a,7a-tetrahydro-1H-indene (CID 140807096) is 2-[2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-4-tert-butylphenyl]-5-tert-butylphenyl]-2,3,3a,7a-tetrahydro-1H-indene.
What is the SMILES notation for 2-[2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-4-tert-butylphenyl]-5-tert-butylphenyl]-2,3,3a,7a-tetrahydro-1H-indene?
The canonical SMILES for 2-[2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-4-tert-butylphenyl]-5-tert-butylphenyl]-2,3,3a,7a-tetrahydro-1H-indene is CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2C2CC3C=CC=CC3C2)c(C2CC3C=CC=CC3C2)c1.
What is the InChIKey of 2-[2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-4-tert-butylphenyl]-5-tert-butylphenyl]-2,3,3a,7a-tetrahydro-1H-indene?
The InChIKey is UTGZJOHGGCLFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46/c1-37(2,3)31-15-17-33(35(23-31)29-19-25-11-7-8-12-26(25)20-29)34-18-16-32(38(4,5)6)24-36(34)30-21-27-13-9-10-14-28(27)22-30/h7-18,23-30H,19-22H2,1-6H3.
What are the key properties of 2-[2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-4-tert-butylphenyl]-5-tert-butylphenyl]-2,3,3a,7a-tetrahydro-1H-indene?
2-[2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-4-tert-butylphenyl]-5-tert-butylphenyl]-2,3,3a,7a-tetrahydro-1H-indene has a molecular weight of 502.79 g/mol, XLogP of 10.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)-4-tert-butylphenyl]-5-tert-butylphenyl]-2,3,3a,7a-tetrahydro-1H-indene is sourced from PubChem (CID 140807096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).