carbanide;dichlorotitanium;trichlorotitanium(1+);(tricyclohexyl-λ5-phosphanylidene)azanide;tricyclohexyl(trimethylsilylimino)-λ5-phosphane;bis(1,2,3-trimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiole)

C69H117Cl5N2P2S2SiTi2-2 — CID 162297766

About carbanide;dichlorotitanium;trichlorotitanium(1+);(tricyclohexyl-λ5-phosphanylidene)azanide;tricyclohexyl(trimethylsilylimino)-λ5-phosphane;bis(1,2,3-trimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiole)

carbanide;dichlorotitanium;trichlorotitanium(1+);(tricyclohexyl-λ5-phosphanylidene)azanide;tricyclohexyl(trimethylsilylimino)-λ5-phosphane;bis(1,2,3-trimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiole) (PubChem CID 162297766) has the molecular formula C69H117Cl5N2P2S2SiTi2-2 and a molecular weight of 1401.88 g/mol. Its IUPAC name is carbanide;dichlorotitanium;trichlorotitanium(1+);(tricyclohexyl-λ5-phosphanylidene)azanide;tricyclohexyl(trimethylsilylimino)-λ5-phosphane;bis(1,2,3-trimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiole).

Molecular Properties

• Compound Name: carbanide;dichlorotitanium;trichlorotitanium(1+);(tricyclohexyl-λ5-phosphanylidene)azanide;tricyclohexyl(trimethylsilylimino)-λ5-phosphane;bis(1,2,3-trimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiole)
• PubChem CID: 162297766
• Molecular Formula: C69H117Cl5N2P2S2SiTi2-2
• Molecular Weight: 1401.88 g/mol
• Exact Mass: 1398.53
• IUPAC Name: carbanide;dichlorotitanium;trichlorotitanium(1+);(tricyclohexyl-λ5-phosphanylidene)azanide;tricyclohexyl(trimethylsilylimino)-λ5-phosphane;bis(1,2,3-trimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiole)
• SMILES: CC1C(C)C2Sc3ccccc3C2C1C.CC1C(C)C2Sc3ccccc3C2C1C.C[Si](C)(C)N=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1.Cl[Ti+](Cl)Cl.Cl[Ti]Cl.[CH3-].[CH3-].[N-]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C21H42NPSi.C18H33NP.2C14H18S.2CH3.5ClH.2Ti/c1-24(2,3)22-23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-8-9(2)13-11-6-4-5-7-12(11)15-14(13)10(8)3;;;;;;;;;/h19-21H,4-18H2,1-3H3;16-18H,1-15H2;2*4-10,13-14H,1-3H3;2*1H3;5*1H;;/q;-1;;;2*-1;;;;;;+2;+4/p-5
• InChIKey: IYOABVPEGKUCNW-UHFFFAOYSA-I
• XLogP: 27.45
• TPSA: 34.66 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1401.88
LogP ≤ 5	27.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;dichlorotitanium;trichlorotitanium(1+);(tricyclohexyl-λ5-phosphanylidene)azanide;tricyclohexyl(trimethylsilylimino)-λ5-phosphane;bis(1,2,3-trimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiole)?

The IUPAC name of carbanide;dichlorotitanium;trichlorotitanium(1+);(tricyclohexyl-λ5-phosphanylidene)azanide;tricyclohexyl(trimethylsilylimino)-λ5-phosphane;bis(1,2,3-trimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiole) (CID 162297766) is carbanide;dichlorotitanium;trichlorotitanium(1+);(tricyclohexyl-λ5-phosphanylidene)azanide;tricyclohexyl(trimethylsilylimino)-λ5-phosphane;bis(1,2,3-trimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiole).

What is the SMILES notation for carbanide;dichlorotitanium;trichlorotitanium(1+);(tricyclohexyl-λ5-phosphanylidene)azanide;tricyclohexyl(trimethylsilylimino)-λ5-phosphane;bis(1,2,3-trimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiole)?

The canonical SMILES for carbanide;dichlorotitanium;trichlorotitanium(1+);(tricyclohexyl-λ5-phosphanylidene)azanide;tricyclohexyl(trimethylsilylimino)-λ5-phosphane;bis(1,2,3-trimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiole) is CC1C(C)C2Sc3ccccc3C2C1C.CC1C(C)C2Sc3ccccc3C2C1C.C[Si](C)(C)N=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1.Cl[Ti+](Cl)Cl.Cl[Ti]Cl.[CH3-].[CH3-].[N-]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1.

What is the InChIKey of carbanide;dichlorotitanium;trichlorotitanium(1+);(tricyclohexyl-λ5-phosphanylidene)azanide;tricyclohexyl(trimethylsilylimino)-λ5-phosphane;bis(1,2,3-trimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiole)?

The InChIKey is IYOABVPEGKUCNW-UHFFFAOYSA-I. The full InChI is InChI=1S/C21H42NPSi.C18H33NP.2C14H18S.2CH3.5ClH.2Ti/c1-24(2,3)22-23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-8-9(2)13-11-6-4-5-7-12(11)15-14(13)10(8)3;;;;;;;;;/h19-21H,4-18H2,1-3H3;16-18H,1-15H2;2*4-10,13-14H,1-3H3;2*1H3;5*1H;;/q;-1;;;2*-1;;;;;;+2;+4/p-5.

What are the key properties of carbanide;dichlorotitanium;trichlorotitanium(1+);(tricyclohexyl-λ5-phosphanylidene)azanide;tricyclohexyl(trimethylsilylimino)-λ5-phosphane;bis(1,2,3-trimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiole)?

carbanide;dichlorotitanium;trichlorotitanium(1+);(tricyclohexyl-λ5-phosphanylidene)azanide;tricyclohexyl(trimethylsilylimino)-λ5-phosphane;bis(1,2,3-trimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiole) has a molecular weight of 1401.88 g/mol, XLogP of 27.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;dichlorotitanium;trichlorotitanium(1+);(tricyclohexyl-λ5-phosphanylidene)azanide;tricyclohexyl(trimethylsilylimino)-λ5-phosphane;bis(1,2,3-trimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiole) is sourced from PubChem (CID 162297766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).