4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene

C45H52 — CID 173239126

IUPAC4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene
SMILESCCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1C(CC)C1C(CC)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21
InChIInChI=1S/C45H52/c1-10-29-27-40-36(31-19-23-33(24-20-31)44(4,5)6)15-13-17-38(40)42(29)35(12-3)43-30(11-2)28-41-37(16-14-18-39(41)43)32-21-25-34(26-22-32)45(7,8)9/h13-28,35,42-43H,10-12H2,1-9H3
InChIKeyAOIRMCSFZLHLFB-UHFFFAOYSA-N
MW592.91 g/mol
LogP13.12
Rot. Bonds7

About 4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene

4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene (PubChem CID 173239126) has the molecular formula C45H52 and a molecular weight of 592.91 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene
PubChem CID173239126
Molecular FormulaC45H52
Molecular Weight592.91 g/mol
Exact Mass592.41
IUPAC Name4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene
SMILESCCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1C(CC)C1C(CC)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21
InChIInChI=1S/C45H52/c1-10-29-27-40-36(31-19-23-33(24-20-31)44(4,5)6)15-13-17-38(40)42(29)35(12-3)43-30(11-2)28-41-37(16-14-18-39(41)43)32-21-25-34(26-22-32)45(7,8)9/h13-28,35,42-43H,10-12H2,1-9H3
InChIKeyAOIRMCSFZLHLFB-UHFFFAOYSA-N
XLogP13.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.91
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene?
The IUPAC name of 4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene (CID 173239126) is 4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene.
What is the SMILES notation for 4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene?
The canonical SMILES for 4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene is CCC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1C(CC)C1C(CC)=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc21.
What is the InChIKey of 4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene?
The InChIKey is AOIRMCSFZLHLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H52/c1-10-29-27-40-36(31-19-23-33(24-20-31)44(4,5)6)15-13-17-38(40)42(29)35(12-3)43-30(11-2)28-41-37(16-14-18-39(41)43)32-21-25-34(26-22-32)45(7,8)9/h13-28,35,42-43H,10-12H2,1-9H3.
What are the key properties of 4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene?
4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene has a molecular weight of 592.91 g/mol, XLogP of 13.12, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene is sourced from PubChem (CID 173239126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).