bis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(titanium(2+));dichloride

C62H50Cl2P2Ti2-2 — CID 21096279

IUPACbis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(titanium(2+));dichloride
SMILESCc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Ti+2].[Ti+2].c1ccc(P(c2ccccc2)c2cc3ccccc3[cH-]2)cc1.c1ccc(P(c2ccccc2)c2cc3ccccc3[cH-]2)cc1
InChIInChI=1S/2C21H16P.2C10H9.2ClH.2Ti/c2*1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21;2*1-8-6-9-4-2-3-5-10(9)7-8;;;;/h2*1-16H;2*2-7H,1H3;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyKTRQISAWOOJSLC-UHFFFAOYSA-L
MW1023.67 g/mol
LogP8.37
Rot. Bonds6

About bis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(titanium(2+));dichloride

bis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(titanium(2+));dichloride (PubChem CID 21096279) has the molecular formula C62H50Cl2P2Ti2-2 and a molecular weight of 1023.67 g/mol. Its IUPAC name is bis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(titanium(2+));dichloride.

Molecular Properties

Compound Namebis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(titanium(2+));dichloride
PubChem CID21096279
Molecular FormulaC62H50Cl2P2Ti2-2
Molecular Weight1023.67 g/mol
Exact Mass1022.17
IUPAC Namebis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(titanium(2+));dichloride
SMILESCc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Ti+2].[Ti+2].c1ccc(P(c2ccccc2)c2cc3ccccc3[cH-]2)cc1.c1ccc(P(c2ccccc2)c2cc3ccccc3[cH-]2)cc1
InChIInChI=1S/2C21H16P.2C10H9.2ClH.2Ti/c2*1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21;2*1-8-6-9-4-2-3-5-10(9)7-8;;;;/h2*1-16H;2*2-7H,1H3;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyKTRQISAWOOJSLC-UHFFFAOYSA-L
XLogP8.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.67
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(titanium(2+));dichloride?
The IUPAC name of bis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(titanium(2+));dichloride (CID 21096279) is bis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(titanium(2+));dichloride.
What is the SMILES notation for bis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(titanium(2+));dichloride?
The canonical SMILES for bis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(titanium(2+));dichloride is Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Ti+2].[Ti+2].c1ccc(P(c2ccccc2)c2cc3ccccc3[cH-]2)cc1.c1ccc(P(c2ccccc2)c2cc3ccccc3[cH-]2)cc1.
What is the InChIKey of bis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(titanium(2+));dichloride?
The InChIKey is KTRQISAWOOJSLC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H16P.2C10H9.2ClH.2Ti/c2*1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21;2*1-8-6-9-4-2-3-5-10(9)7-8;;;;/h2*1-16H;2*2-7H,1H3;2*1H;;/q4*-1;;;2*+2/p-2.
What are the key properties of bis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(titanium(2+));dichloride?
bis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(titanium(2+));dichloride has a molecular weight of 1023.67 g/mol, XLogP of 8.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(titanium(2+));dichloride is sourced from PubChem (CID 21096279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).