2-phenyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene

C28H24S — CID 18420391

IUPAC2-phenyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene
SMILESCC(C)c1ccc(-c2cccc3c2C=C(c2ccc(-c4ccccc4)s2)C3)cc1
InChIInChI=1S/C28H24S/c1-19(2)20-11-13-21(14-12-20)25-10-6-9-23-17-24(18-26(23)25)28-16-15-27(29-28)22-7-4-3-5-8-22/h3-16,18-19H,17H2,1-2H3
InChIKeyZHSRDDOQNGFPEN-UHFFFAOYSA-N
MW392.57 g/mol
LogP8.30
Rot. Bonds4

About 2-phenyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene

2-phenyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene (PubChem CID 18420391) has the molecular formula C28H24S and a molecular weight of 392.57 g/mol. Its IUPAC name is 2-phenyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene.

Molecular Properties

Compound Name2-phenyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene
PubChem CID18420391
Molecular FormulaC28H24S
Molecular Weight392.57 g/mol
Exact Mass392.16
IUPAC Name2-phenyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene
SMILESCC(C)c1ccc(-c2cccc3c2C=C(c2ccc(-c4ccccc4)s2)C3)cc1
InChIInChI=1S/C28H24S/c1-19(2)20-11-13-21(14-12-20)25-10-6-9-23-17-24(18-26(23)25)28-16-15-27(29-28)22-7-4-3-5-8-22/h3-16,18-19H,17H2,1-2H3
InChIKeyZHSRDDOQNGFPEN-UHFFFAOYSA-N
XLogP8.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene
CID 18420453
2-methyl-5-(4-naphthalen-2-yl-1H-inden-2-yl)thiophene
CID 18420530
2-butan-2-yl-4-(4-propan-2-ylphenyl)-1H-indene
CID 87673964
2-phenyl-4-(4-propylphenyl)-1H-indene;zirconium
CID 174563339
N,N-dimethyl-4-phenyl-1H-inden-2-amine
CID 151077221
4-(2-methylphenyl)-2-phenyl-1H-indene
CID 87905958
2-(4-phenyl-1H-inden-2-yl)furan
CID 18008362
4-(4-tert-butylphenyl)-2-(4-methylphenyl)-1H-indene
CID 87188383
2-tert-butyl-4-phenyl-1H-indene
CID 87188208
4-(4-butan-2-ylphenyl)-2-propan-2-yl-1H-indene;zirconium
CID 174563322
2,4-bis(2-methylphenyl)-1H-indene
CID 139712954
2,5-diphenyl-4-(2-propan-2-ylphenyl)-1H-indene
CID 87703147

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene?
The IUPAC name of 2-phenyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene (CID 18420391) is 2-phenyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene.
What is the SMILES notation for 2-phenyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene?
The canonical SMILES for 2-phenyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene is CC(C)c1ccc(-c2cccc3c2C=C(c2ccc(-c4ccccc4)s2)C3)cc1.
What is the InChIKey of 2-phenyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene?
The InChIKey is ZHSRDDOQNGFPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24S/c1-19(2)20-11-13-21(14-12-20)25-10-6-9-23-17-24(18-26(23)25)28-16-15-27(29-28)22-7-4-3-5-8-22/h3-16,18-19H,17H2,1-2H3.
What are the key properties of 2-phenyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene?
2-phenyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene has a molecular weight of 392.57 g/mol, XLogP of 8.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-2-yl]thiophene is sourced from PubChem (CID 18420391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).