5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium

C19H18Hf — CID 175279096

IUPAC5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium
SMILESC1=CC(Cc2ccccc2)c2cc3c(cc21)CCC3.[Hf]
InChIInChI=1S/C19H18.Hf/c1-2-5-14(6-3-1)11-17-9-10-18-12-15-7-4-8-16(15)13-19(17)18;/h1-3,5-6,9-10,12-13,17H,4,7-8,11H2;
InChIKeyZRQLRVIYQMHWAY-UHFFFAOYSA-N
MW424.84 g/mol
LogP4.53
Rot. Bonds2

About 5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium

5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium (PubChem CID 175279096) has the molecular formula C19H18Hf and a molecular weight of 424.84 g/mol. Its IUPAC name is 5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium.

Molecular Properties

Compound Name5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium
PubChem CID175279096
Molecular FormulaC19H18Hf
Molecular Weight424.84 g/mol
Exact Mass426.09
IUPAC Name5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium
SMILESC1=CC(Cc2ccccc2)c2cc3c(cc21)CCC3.[Hf]
InChIInChI=1S/C19H18.Hf/c1-2-5-14(6-3-1)11-17-9-10-18-12-15-7-4-8-16(15)13-19(17)18;/h1-3,5-6,9-10,12-13,17H,4,7-8,11H2;
InChIKeyZRQLRVIYQMHWAY-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene;hafnium
CID 175279082
5-benzyl-2,2-dimethyl-3,5-dihydro-1H-s-indacene;hafnium
CID 175279126
1-benzyl-5,6-dimethyl-1H-indene
CID 156638082
hafnium;3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene
CID 175279350
3-methyl-5,6,7,8-tetrahydro-3H-cyclopenta[b]naphthalene
CID 58581350
5-benzyl-2,3-dihydro-1H-indene
CID 142307005
1-[(4-ethenylphenyl)methyl]-1H-indene
CID 170649356
5-(2,2-dimethylpropyl)-2,2-diethyl-3,5-dihydro-1H-s-indacene;hafnium
CID 175279322
cyclopenta-2,4-dien-1-yl-[dimethyl(1,5,6,7-tetrahydro-s-indacen-1-yl)-λ4-sulfanyl]-dimethyl-λ4-sulfane
CID 142593436
2-[(3-benzyl-2-methyl-3,5,6,7-tetrahydro-s-indacen-1-yl)methyl]piperidine
CID 123987454
2,3-dihydro-1H-indene;phenylmethanamine
CID 70078928
1-(1H-inden-2-ylmethyl)-1H-indene
CID 87862084

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium?
The IUPAC name of 5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium (CID 175279096) is 5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium.
What is the SMILES notation for 5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium?
The canonical SMILES for 5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium is C1=CC(Cc2ccccc2)c2cc3c(cc21)CCC3.[Hf].
What is the InChIKey of 5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium?
The InChIKey is ZRQLRVIYQMHWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18.Hf/c1-2-5-14(6-3-1)11-17-9-10-18-12-15-7-4-8-16(15)13-19(17)18;/h1-3,5-6,9-10,12-13,17H,4,7-8,11H2;.
What are the key properties of 5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium?
5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium has a molecular weight of 424.84 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,2,3,5-tetrahydro-s-indacene;hafnium is sourced from PubChem (CID 175279096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).