(7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene

C23H32P2S2 — CID 59887535

IUPAC(7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene
SMILESCC1=C(C)P2(=S)C3=C(C(C)(C)C4=C3P3(=S)C(C)=C(C)[C@]4(C)C3C)[C@@]1(C)C2C
InChIInChI=1S/C23H32P2S2/c1-11-13(3)24(26)15(5)22(11,9)19-17(24)18-20(21(19,7)8)23(10)12(2)14(4)25(18,27)16(23)6/h15-16H,1-10H3/t15?,16?,22-,23-,24?,25?/m1/s1
InChIKeyRXCCPRJQYSKTKU-OIPGBKEKSA-N
MW434.59 g/mol
LogP7.93
Rot. Bonds

About (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene

(7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene (PubChem CID 59887535) has the molecular formula C23H32P2S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene.

Molecular Properties

Compound Name(7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene
PubChem CID59887535
Molecular FormulaC23H32P2S2
Molecular Weight434.59 g/mol
Exact Mass434.14
IUPAC Name(7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene
SMILESCC1=C(C)P2(=S)C3=C(C(C)(C)C4=C3P3(=S)C(C)=C(C)[C@]4(C)C3C)[C@@]1(C)C2C
InChIInChI=1S/C23H32P2S2/c1-11-13(3)24(26)15(5)22(11,9)19-17(24)18-20(21(19,7)8)23(10)12(2)14(4)25(18,27)16(23)6/h15-16H,1-10H3/t15?,16?,22-,23-,24?,25?/m1/s1
InChIKeyRXCCPRJQYSKTKU-OIPGBKEKSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene?
The IUPAC name of (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene (CID 59887535) is (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene.
What is the SMILES notation for (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene?
The canonical SMILES for (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene is CC1=C(C)P2(=S)C3=C(C(C)(C)C4=C3P3(=S)C(C)=C(C)[C@]4(C)C3C)[C@@]1(C)C2C.
What is the InChIKey of (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene?
The InChIKey is RXCCPRJQYSKTKU-OIPGBKEKSA-N. The full InChI is InChI=1S/C23H32P2S2/c1-11-13(3)24(26)15(5)22(11,9)19-17(24)18-20(21(19,7)8)23(10)12(2)14(4)25(18,27)16(23)6/h15-16H,1-10H3/t15?,16?,22-,23-,24?,25?/m1/s1.
What are the key properties of (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene?
(7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene has a molecular weight of 434.59 g/mol, XLogP of 7.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1,4-bis(sulfanylidene)-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene is sourced from PubChem (CID 59887535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).