2,4,10-triphenyl-8-(4-propan-2-ylphenyl)-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,8-diene

C32H30N4S — CID 3732990

IUPAC2,4,10-triphenyl-8-(4-propan-2-ylphenyl)-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,8-diene
SMILESCC(C)c1ccc(C2=NN(c3ccccc3)C3(CC2)SC(c2ccccc2)=NN3c2ccccc2)cc1
InChIInChI=1S/C32H30N4S/c1-24(2)25-18-20-26(21-19-25)30-22-23-32(35(33-30)28-14-8-4-9-15-28)36(29-16-10-5-11-17-29)34-31(37-32)27-12-6-3-7-13-27/h3-21,24H,22-23H2,1-2H3
InChIKeyCRDOISBSHUMGPV-UHFFFAOYSA-N
MW502.69 g/mol
LogP8.08
Rot. Bonds5

About 2,4,10-triphenyl-8-(4-propan-2-ylphenyl)-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,8-diene

2,4,10-triphenyl-8-(4-propan-2-ylphenyl)-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,8-diene (PubChem CID 3732990) has the molecular formula C32H30N4S and a molecular weight of 502.69 g/mol. Its IUPAC name is 2,4,10-triphenyl-8-(4-propan-2-ylphenyl)-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,8-diene.

Molecular Properties

Compound Name2,4,10-triphenyl-8-(4-propan-2-ylphenyl)-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,8-diene
PubChem CID3732990
Molecular FormulaC32H30N4S
Molecular Weight502.69 g/mol
Exact Mass502.22
IUPAC Name2,4,10-triphenyl-8-(4-propan-2-ylphenyl)-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,8-diene
SMILESCC(C)c1ccc(C2=NN(c3ccccc3)C3(CC2)SC(c2ccccc2)=NN3c2ccccc2)cc1
InChIInChI=1S/C32H30N4S/c1-24(2)25-18-20-26(21-19-25)30-22-23-32(35(33-30)28-14-8-4-9-15-28)36(29-16-10-5-11-17-29)34-31(37-32)27-12-6-3-7-13-27/h3-21,24H,22-23H2,1-2H3
InChIKeyCRDOISBSHUMGPV-UHFFFAOYSA-N
XLogP8.08
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.69
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,10-triphenyl-8-(4-propan-2-ylphenyl)-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,8-diene?
The IUPAC name of 2,4,10-triphenyl-8-(4-propan-2-ylphenyl)-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,8-diene (CID 3732990) is 2,4,10-triphenyl-8-(4-propan-2-ylphenyl)-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,8-diene.
What is the SMILES notation for 2,4,10-triphenyl-8-(4-propan-2-ylphenyl)-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,8-diene?
The canonical SMILES for 2,4,10-triphenyl-8-(4-propan-2-ylphenyl)-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,8-diene is CC(C)c1ccc(C2=NN(c3ccccc3)C3(CC2)SC(c2ccccc2)=NN3c2ccccc2)cc1.
What is the InChIKey of 2,4,10-triphenyl-8-(4-propan-2-ylphenyl)-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,8-diene?
The InChIKey is CRDOISBSHUMGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4S/c1-24(2)25-18-20-26(21-19-25)30-22-23-32(35(33-30)28-14-8-4-9-15-28)36(29-16-10-5-11-17-29)34-31(37-32)27-12-6-3-7-13-27/h3-21,24H,22-23H2,1-2H3.
What are the key properties of 2,4,10-triphenyl-8-(4-propan-2-ylphenyl)-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,8-diene?
2,4,10-triphenyl-8-(4-propan-2-ylphenyl)-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,8-diene has a molecular weight of 502.69 g/mol, XLogP of 8.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,10-triphenyl-8-(4-propan-2-ylphenyl)-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,8-diene is sourced from PubChem (CID 3732990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).