24-phenyl-9-thia-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide

C28H17OPS — CID 121310741

IUPAC24-phenyl-9-thia-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide
SMILESO=P1(c2ccccc2)c2c(ccc3ccccc23)-c2ccc3sc4ccccc4c3c21
InChIInChI=1S/C28H17OPS/c29-30(19-9-2-1-3-10-19)27-20-11-5-4-8-18(20)14-15-21(27)22-16-17-25-26(28(22)30)23-12-6-7-13-24(23)31-25/h1-17H
InChIKeyZUUFUVZKUMIVIM-UHFFFAOYSA-N
MW432.48 g/mol
LogP6.83
Rot. Bonds1

About 24-phenyl-9-thia-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide

24-phenyl-9-thia-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide (PubChem CID 121310741) has the molecular formula C28H17OPS and a molecular weight of 432.48 g/mol. Its IUPAC name is 24-phenyl-9-thia-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide.

Molecular Properties

Compound Name24-phenyl-9-thia-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide
PubChem CID121310741
Molecular FormulaC28H17OPS
Molecular Weight432.48 g/mol
Exact Mass432.07
IUPAC Name24-phenyl-9-thia-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide
SMILESO=P1(c2ccccc2)c2c(ccc3ccccc23)-c2ccc3sc4ccccc4c3c21
InChIInChI=1S/C28H17OPS/c29-30(19-9-2-1-3-10-19)27-20-11-5-4-8-18(20)14-15-21(27)22-16-17-25-26(28(22)30)23-12-6-7-13-24(23)31-25/h1-17H
InChIKeyZUUFUVZKUMIVIM-UHFFFAOYSA-N
XLogP6.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 24-phenyl-9-thia-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide with MolForge

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Related Compounds

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CID 139250927
10-dibenzothiophen-1-yl-11H-benzo[a]carbazole;molecular hydrogen
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10-thiaheptacyclo[15.12.0.02,14.03,11.04,9.018,23.024,29]nonacosa-1(17),2(14),3(11),4,6,8,12,15,18,20,22,24,26,28-tetradecaene
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1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene
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1-phenyldibenzothiophene;hydrobromide
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Frequently Asked Questions

What is the IUPAC name of 24-phenyl-9-thia-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide?
The IUPAC name of 24-phenyl-9-thia-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide (CID 121310741) is 24-phenyl-9-thia-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide.
What is the SMILES notation for 24-phenyl-9-thia-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide?
The canonical SMILES for 24-phenyl-9-thia-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide is O=P1(c2ccccc2)c2c(ccc3ccccc23)-c2ccc3sc4ccccc4c3c21.
What is the InChIKey of 24-phenyl-9-thia-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide?
The InChIKey is ZUUFUVZKUMIVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17OPS/c29-30(19-9-2-1-3-10-19)27-20-11-5-4-8-18(20)14-15-21(27)22-16-17-25-26(28(22)30)23-12-6-7-13-24(23)31-25/h1-17H.
What are the key properties of 24-phenyl-9-thia-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide?
24-phenyl-9-thia-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide has a molecular weight of 432.48 g/mol, XLogP of 6.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 24-phenyl-9-thia-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 24-oxide is sourced from PubChem (CID 121310741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).