butane;2-ethyl-1-[2-(2-ethyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)propan-2-yl]-3H-cyclopenta[a]naphthalen-3-ide;hafnium(4+)

C41H48Hf — CID 173019827

IUPACbutane;2-ethyl-1-[2-(2-ethyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)propan-2-yl]-3H-cyclopenta[a]naphthalen-3-ide;hafnium(4+)
SMILESCCc1[cH-]c2ccc3ccccc3c2c1C(C)(C)c1c(CC)[cH-]c2ccc3ccccc3c12.[CH2-]CCC.[CH2-]CCC.[Hf+4]
InChIInChI=1S/C33H30.2C4H9.Hf/c1-5-21-19-25-17-15-23-11-7-9-13-27(23)29(25)31(21)33(3,4)32-22(6-2)20-26-18-16-24-12-8-10-14-28(24)30(26)32;2*1-3-4-2;/h7-20H,5-6H2,1-4H3;2*1,3-4H2,2H3;/q-2;2*-1;+4
InChIKeyLZHPHGZLSYPOMZ-UHFFFAOYSA-N
MW719.33 g/mol
LogP12.43
Rot. Bonds6

About butane;2-ethyl-1-[2-(2-ethyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)propan-2-yl]-3H-cyclopenta[a]naphthalen-3-ide;hafnium(4+)

butane;2-ethyl-1-[2-(2-ethyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)propan-2-yl]-3H-cyclopenta[a]naphthalen-3-ide;hafnium(4+) (PubChem CID 173019827) has the molecular formula C41H48Hf and a molecular weight of 719.33 g/mol. Its IUPAC name is butane;2-ethyl-1-[2-(2-ethyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)propan-2-yl]-3H-cyclopenta[a]naphthalen-3-ide;hafnium(4+).

Molecular Properties

Compound Namebutane;2-ethyl-1-[2-(2-ethyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)propan-2-yl]-3H-cyclopenta[a]naphthalen-3-ide;hafnium(4+)
PubChem CID173019827
Molecular FormulaC41H48Hf
Molecular Weight719.33 g/mol
Exact Mass720.32
IUPAC Namebutane;2-ethyl-1-[2-(2-ethyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)propan-2-yl]-3H-cyclopenta[a]naphthalen-3-ide;hafnium(4+)
SMILESCCc1[cH-]c2ccc3ccccc3c2c1C(C)(C)c1c(CC)[cH-]c2ccc3ccccc3c12.[CH2-]CCC.[CH2-]CCC.[Hf+4]
InChIInChI=1S/C33H30.2C4H9.Hf/c1-5-21-19-25-17-15-23-11-7-9-13-27(23)29(25)31(21)33(3,4)32-22(6-2)20-26-18-16-24-12-8-10-14-28(24)30(26)32;2*1-3-4-2;/h7-20H,5-6H2,1-4H3;2*1,3-4H2,2H3;/q-2;2*-1;+4
InChIKeyLZHPHGZLSYPOMZ-UHFFFAOYSA-N
XLogP12.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.33
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze butane;2-ethyl-1-[2-(2-ethyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)propan-2-yl]-3H-cyclopenta[a]naphthalen-3-ide;hafnium(4+) with MolForge

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Related Compounds

butane;hafnium(4+);methyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)-phenylsilane
CID 173020006
bis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+)
CID 173019982
bis(2-ethyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;zirconium(4+)
CID 173019699
bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;hafnium(4+)
CID 173019968
dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)silane;hafnium(4+);dichloride
CID 22325440
butane;9H-fluoren-9-ide;1H-inden-1-ide;zirconium(4+)
CID 173019923
1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol
CID 13354439
heptane;phenanthrene
CID 157482146
benzo[c]phenanthrene;tris(triphenylene)
CID 157372160
heptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,32,34-octadecaene
CID 59760658
bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;zirconium(4+)
CID 173019961
CID 172798514
CID 172798514

Frequently Asked Questions

What is the IUPAC name of butane;2-ethyl-1-[2-(2-ethyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)propan-2-yl]-3H-cyclopenta[a]naphthalen-3-ide;hafnium(4+)?
The IUPAC name of butane;2-ethyl-1-[2-(2-ethyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)propan-2-yl]-3H-cyclopenta[a]naphthalen-3-ide;hafnium(4+) (CID 173019827) is butane;2-ethyl-1-[2-(2-ethyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)propan-2-yl]-3H-cyclopenta[a]naphthalen-3-ide;hafnium(4+).
What is the SMILES notation for butane;2-ethyl-1-[2-(2-ethyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)propan-2-yl]-3H-cyclopenta[a]naphthalen-3-ide;hafnium(4+)?
The canonical SMILES for butane;2-ethyl-1-[2-(2-ethyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)propan-2-yl]-3H-cyclopenta[a]naphthalen-3-ide;hafnium(4+) is CCc1[cH-]c2ccc3ccccc3c2c1C(C)(C)c1c(CC)[cH-]c2ccc3ccccc3c12.[CH2-]CCC.[CH2-]CCC.[Hf+4].
What is the InChIKey of butane;2-ethyl-1-[2-(2-ethyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)propan-2-yl]-3H-cyclopenta[a]naphthalen-3-ide;hafnium(4+)?
The InChIKey is LZHPHGZLSYPOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30.2C4H9.Hf/c1-5-21-19-25-17-15-23-11-7-9-13-27(23)29(25)31(21)33(3,4)32-22(6-2)20-26-18-16-24-12-8-10-14-28(24)30(26)32;2*1-3-4-2;/h7-20H,5-6H2,1-4H3;2*1,3-4H2,2H3;/q-2;2*-1;+4.
What are the key properties of butane;2-ethyl-1-[2-(2-ethyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)propan-2-yl]-3H-cyclopenta[a]naphthalen-3-ide;hafnium(4+)?
butane;2-ethyl-1-[2-(2-ethyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)propan-2-yl]-3H-cyclopenta[a]naphthalen-3-ide;hafnium(4+) has a molecular weight of 719.33 g/mol, XLogP of 12.43, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-ethyl-1-[2-(2-ethyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)propan-2-yl]-3H-cyclopenta[a]naphthalen-3-ide;hafnium(4+) is sourced from PubChem (CID 173019827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).