(7R,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 59887536

About (7R,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

(7R,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 59887536) has the molecular formula C23H32P2S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is (7R,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: (7R,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: 59887536
• Molecular Formula: C23H32P2S2
• Molecular Weight: 434.59 g/mol
• Exact Mass: 434.14
• IUPAC Name: (7R,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
• SMILES: 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
• InChI: 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?
• InChIKey: RXCCPRJQYSKTKU-AEEXYSJESA-N
• XLogP: 7.93
• TPSA: 0.00 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.59
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7R,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 (7R,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 59887536) is (7R,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 (7R,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 (7R,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 (7R,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-AEEXYSJESA-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?.

What are the key properties of (7R,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?

(7R,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 (7R,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 59887536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).