dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;bis((3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane)

C54H95O14P5S8 — CID 146279088

About dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;bis((3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane)

dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;bis((3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane) (PubChem CID 146279088) has the molecular formula C54H95O14P5S8 and a molecular weight of 1379.75 g/mol. Its IUPAC name is dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;bis((3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane).

Molecular Properties

• Compound Name: dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;bis((3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane)
• PubChem CID: 146279088
• Molecular Formula: C54H95O14P5S8
• Molecular Weight: 1379.75 g/mol
• Exact Mass: 1378.32
• IUPAC Name: dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;bis((3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane)
• SMILES: CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.CCOP(=S)(OCC)SC1OCCOC1SP(=S)(OCC)OCC.CCOP(=S)(OCC)SC1OCCOC1SP(=S)(OCC)OCC
• InChI: InChI=1S/C30H43O2P.2C12H26O6P2S4/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25;2*1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-13,18-25H,5-10,14-17H2,1-4H3;2*11-12H,5-10H2,1-4H3
• InChIKey: BITABPKKATYPDH-UHFFFAOYSA-N
• XLogP: 18.19
• TPSA: 129.22 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 32
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1379.75
LogP ≤ 5	18.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;bis((3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane)?

The IUPAC name of dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;bis((3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane) (CID 146279088) is dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;bis((3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane).

What is the SMILES notation for dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;bis((3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane)?

The canonical SMILES for dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;bis((3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane) is CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.CCOP(=S)(OCC)SC1OCCOC1SP(=S)(OCC)OCC.CCOP(=S)(OCC)SC1OCCOC1SP(=S)(OCC)OCC.

What is the InChIKey of dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;bis((3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane)?

The InChIKey is BITABPKKATYPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43O2P.2C12H26O6P2S4/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25;2*1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-13,18-25H,5-10,14-17H2,1-4H3;2*11-12H,5-10H2,1-4H3.

What are the key properties of dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;bis((3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane)?

dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;bis((3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane) has a molecular weight of 1379.75 g/mol, XLogP of 18.19, 32 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane;bis((3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane) is sourced from PubChem (CID 146279088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).