1-propan-2-yl-3-[2-(3-propan-2-yl-2,3-dihydro-1H-phenalen-1-yl)ethyl]-2,3-dihydro-1H-phenalene

C34H38 — CID 143021438

IUPAC1-propan-2-yl-3-[2-(3-propan-2-yl-2,3-dihydro-1H-phenalen-1-yl)ethyl]-2,3-dihydro-1H-phenalene
SMILESCC(C)C1CC(CCC2CC(C(C)C)c3cccc4cccc2c34)c2cccc3cccc1c23
InChIInChI=1S/C34H38/c1-21(2)31-19-25(27-13-5-9-23-11-7-15-29(31)33(23)27)17-18-26-20-32(22(3)4)30-16-8-12-24-10-6-14-28(26)34(24)30/h5-16,21-22,25-26,31-32H,17-20H2,1-4H3
InChIKeyOYQYDYJLCJIGMH-UHFFFAOYSA-N
MW446.68 g/mol
LogP9.93
Rot. Bonds5

About 1-propan-2-yl-3-[2-(3-propan-2-yl-2,3-dihydro-1H-phenalen-1-yl)ethyl]-2,3-dihydro-1H-phenalene

1-propan-2-yl-3-[2-(3-propan-2-yl-2,3-dihydro-1H-phenalen-1-yl)ethyl]-2,3-dihydro-1H-phenalene (PubChem CID 143021438) has the molecular formula C34H38 and a molecular weight of 446.68 g/mol. Its IUPAC name is 1-propan-2-yl-3-[2-(3-propan-2-yl-2,3-dihydro-1H-phenalen-1-yl)ethyl]-2,3-dihydro-1H-phenalene.

Molecular Properties

Compound Name1-propan-2-yl-3-[2-(3-propan-2-yl-2,3-dihydro-1H-phenalen-1-yl)ethyl]-2,3-dihydro-1H-phenalene
PubChem CID143021438
Molecular FormulaC34H38
Molecular Weight446.68 g/mol
Exact Mass446.30
IUPAC Name1-propan-2-yl-3-[2-(3-propan-2-yl-2,3-dihydro-1H-phenalen-1-yl)ethyl]-2,3-dihydro-1H-phenalene
SMILESCC(C)C1CC(CCC2CC(C(C)C)c3cccc4cccc2c34)c2cccc3cccc1c23
InChIInChI=1S/C34H38/c1-21(2)31-19-25(27-13-5-9-23-11-7-15-29(31)33(23)27)17-18-26-20-32(22(3)4)30-16-8-12-24-10-6-14-28(26)34(24)30/h5-16,21-22,25-26,31-32H,17-20H2,1-4H3
InChIKeyOYQYDYJLCJIGMH-UHFFFAOYSA-N
XLogP9.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.68
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[2-(3-propan-2-yl-2,3-dihydro-1H-phenalen-1-yl)ethyl]-2,3-dihydro-1H-phenalene?
The IUPAC name of 1-propan-2-yl-3-[2-(3-propan-2-yl-2,3-dihydro-1H-phenalen-1-yl)ethyl]-2,3-dihydro-1H-phenalene (CID 143021438) is 1-propan-2-yl-3-[2-(3-propan-2-yl-2,3-dihydro-1H-phenalen-1-yl)ethyl]-2,3-dihydro-1H-phenalene.
What is the SMILES notation for 1-propan-2-yl-3-[2-(3-propan-2-yl-2,3-dihydro-1H-phenalen-1-yl)ethyl]-2,3-dihydro-1H-phenalene?
The canonical SMILES for 1-propan-2-yl-3-[2-(3-propan-2-yl-2,3-dihydro-1H-phenalen-1-yl)ethyl]-2,3-dihydro-1H-phenalene is CC(C)C1CC(CCC2CC(C(C)C)c3cccc4cccc2c34)c2cccc3cccc1c23.
What is the InChIKey of 1-propan-2-yl-3-[2-(3-propan-2-yl-2,3-dihydro-1H-phenalen-1-yl)ethyl]-2,3-dihydro-1H-phenalene?
The InChIKey is OYQYDYJLCJIGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38/c1-21(2)31-19-25(27-13-5-9-23-11-7-15-29(31)33(23)27)17-18-26-20-32(22(3)4)30-16-8-12-24-10-6-14-28(26)34(24)30/h5-16,21-22,25-26,31-32H,17-20H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-[2-(3-propan-2-yl-2,3-dihydro-1H-phenalen-1-yl)ethyl]-2,3-dihydro-1H-phenalene?
1-propan-2-yl-3-[2-(3-propan-2-yl-2,3-dihydro-1H-phenalen-1-yl)ethyl]-2,3-dihydro-1H-phenalene has a molecular weight of 446.68 g/mol, XLogP of 9.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[2-(3-propan-2-yl-2,3-dihydro-1H-phenalen-1-yl)ethyl]-2,3-dihydro-1H-phenalene is sourced from PubChem (CID 143021438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).