1,9-dihydrofluoren-1-ide;hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-phenylethylbenzene

C43H37HfP-2 — CID 87828151

IUPAC1,9-dihydrofluoren-1-ide;hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-phenylethylbenzene
SMILESCc1ccccc1P[c-]1ccc2ccccc21.[Hf].[c-]1cccc2c1Cc1ccccc1-2.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C16H14P.C14H14.C13H9.Hf/c1-12-6-2-5-9-15(12)17-16-11-10-13-7-3-4-8-14(13)16;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;/h2-11,17H,1H3;1-10H,11-12H2;1-5,7-8H,9H2;/q-1;;-1;
InChIKeyKDBTWWREYSDQKM-UHFFFAOYSA-N
MW763.23 g/mol
LogP10.02
Rot. Bonds5

About 1,9-dihydrofluoren-1-ide;hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-phenylethylbenzene

1,9-dihydrofluoren-1-ide;hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-phenylethylbenzene (PubChem CID 87828151) has the molecular formula C43H37HfP-2 and a molecular weight of 763.23 g/mol. Its IUPAC name is 1,9-dihydrofluoren-1-ide;hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-phenylethylbenzene.

Molecular Properties

Compound Name1,9-dihydrofluoren-1-ide;hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-phenylethylbenzene
PubChem CID87828151
Molecular FormulaC43H37HfP-2
Molecular Weight763.23 g/mol
Exact Mass764.21
IUPAC Name1,9-dihydrofluoren-1-ide;hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-phenylethylbenzene
SMILESCc1ccccc1P[c-]1ccc2ccccc21.[Hf].[c-]1cccc2c1Cc1ccccc1-2.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C16H14P.C14H14.C13H9.Hf/c1-12-6-2-5-9-15(12)17-16-11-10-13-7-3-4-8-14(13)16;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;/h2-11,17H,1H3;1-10H,11-12H2;1-5,7-8H,9H2;/q-1;;-1;
InChIKeyKDBTWWREYSDQKM-UHFFFAOYSA-N
XLogP10.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.23
LogP ≤ 510.02
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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Related Compounds

hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene
CID 87830474
4,7-dimethyl-1H-inden-1-ide;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-phenylethylbenzene;zirconium(2+)
CID 87829343
bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride
CID 21096461
bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
CID 19698863
bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
CID 157229521
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride
CID 173097726
bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
CID 22027323
1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide
CID 173097773
1,9-dihydrofluoren-1-ide;2,6-dimethylphenol;titanium(3+);dichloride
CID 175907066
CID 154493054
CID 154493054
butane;1,9-dihydrofluoren-1-ide;titanium(4+)
CID 150363800

Frequently Asked Questions

What is the IUPAC name of 1,9-dihydrofluoren-1-ide;hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-phenylethylbenzene?
The IUPAC name of 1,9-dihydrofluoren-1-ide;hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-phenylethylbenzene (CID 87828151) is 1,9-dihydrofluoren-1-ide;hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-phenylethylbenzene.
What is the SMILES notation for 1,9-dihydrofluoren-1-ide;hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-phenylethylbenzene?
The canonical SMILES for 1,9-dihydrofluoren-1-ide;hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-phenylethylbenzene is Cc1ccccc1P[c-]1ccc2ccccc21.[Hf].[c-]1cccc2c1Cc1ccccc1-2.c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 1,9-dihydrofluoren-1-ide;hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-phenylethylbenzene?
The InChIKey is KDBTWWREYSDQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14P.C14H14.C13H9.Hf/c1-12-6-2-5-9-15(12)17-16-11-10-13-7-3-4-8-14(13)16;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;/h2-11,17H,1H3;1-10H,11-12H2;1-5,7-8H,9H2;/q-1;;-1;.
What are the key properties of 1,9-dihydrofluoren-1-ide;hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-phenylethylbenzene?
1,9-dihydrofluoren-1-ide;hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-phenylethylbenzene has a molecular weight of 763.23 g/mol, XLogP of 10.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydrofluoren-1-ide;hafnium;inden-1-id-1-yl-(2-methylphenyl)phosphane;2-phenylethylbenzene is sourced from PubChem (CID 87828151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).