5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(3+);dichloride

C21H18Cl2PZr — CID 87935466

IUPAC5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(3+);dichloride
SMILES[Cl-].[Cl-].[Zr+3].c1ccc2[cH-]c(-p3c4c(c5ccccc53)CCCC4)cc2c1
InChIInChI=1S/C21H18P.2ClH.Zr/c1-2-8-16-14-17(13-15(16)7-1)22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22;;;/h1-3,5,7-9,11,13-14H,4,6,10,12H2;2*1H;/q-1;;;+3/p-2
InChIKeyPBPRLCHLZYGZHI-UHFFFAOYSA-L
MW463.48 g/mol
LogP0.57
Rot. Bonds1

About 5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(3+);dichloride

5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(3+);dichloride (PubChem CID 87935466) has the molecular formula C21H18Cl2PZr and a molecular weight of 463.48 g/mol. Its IUPAC name is 5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(3+);dichloride.

Molecular Properties

Compound Name5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(3+);dichloride
PubChem CID87935466
Molecular FormulaC21H18Cl2PZr
Molecular Weight463.48 g/mol
Exact Mass460.96
IUPAC Name5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(3+);dichloride
SMILES[Cl-].[Cl-].[Zr+3].c1ccc2[cH-]c(-p3c4c(c5ccccc53)CCCC4)cc2c1
InChIInChI=1S/C21H18P.2ClH.Zr/c1-2-8-16-14-17(13-15(16)7-1)22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22;;;/h1-3,5,7-9,11,13-14H,4,6,10,12H2;2*1H;/q-1;;;+3/p-2
InChIKeyPBPRLCHLZYGZHI-UHFFFAOYSA-L
XLogP0.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(3+);dichloride with MolForge

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Related Compounds

hafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride
CID 87862825
cyclopenta-1,3-diene;5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(4+);dichloride
CID 161087585
4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]indole;zirconium(3+);dichloride
CID 87935175
hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphole);dichloride
CID 87862693
hafnium(4+);1-(1H-inden-1-id-2-yl)-2-methylindole;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;dichloride
CID 87862854
cyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride
CID 87862997
2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphindole;titanium(4+);dichloride
CID 87863023
1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride
CID 161325964
carbanide;1-(1H-inden-1-id-2-yl)naphthalene;zirconium(3+)
CID 173277586
cyclopenta-1,3-diene;4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]indole;titanium(4+);dichloride
CID 87863492
4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]indole;1-inden-1-id-1-ylpyrrole;zirconium(4+);dichloride
CID 87863284
cyclopenta-1,3-diene;4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]indole;zirconium(4+);difluoride
CID 87862994

Frequently Asked Questions

What is the IUPAC name of 5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(3+);dichloride?
The IUPAC name of 5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(3+);dichloride (CID 87935466) is 5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(3+);dichloride.
What is the SMILES notation for 5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(3+);dichloride?
The canonical SMILES for 5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(3+);dichloride is [Cl-].[Cl-].[Zr+3].c1ccc2[cH-]c(-p3c4c(c5ccccc53)CCCC4)cc2c1.
What is the InChIKey of 5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(3+);dichloride?
The InChIKey is PBPRLCHLZYGZHI-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H18P.2ClH.Zr/c1-2-8-16-14-17(13-15(16)7-1)22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22;;;/h1-3,5,7-9,11,13-14H,4,6,10,12H2;2*1H;/q-1;;;+3/p-2.
What are the key properties of 5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(3+);dichloride?
5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(3+);dichloride has a molecular weight of 463.48 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(3+);dichloride is sourced from PubChem (CID 87935466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).