bis(1,9-dihydrofluoren-1-ide);N,N-dimethyl-1-phenylmethanamine;zirconium(3+)

C35H30NZr — CID 173317648

IUPACbis(1,9-dihydrofluoren-1-ide);N,N-dimethyl-1-phenylmethanamine;zirconium(3+)
SMILESCN(C)Cc1c[c-]ccc1.[Zr+3].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/2C13H9.C9H12N.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-10(2)8-9-6-4-3-5-7-9;/h2*1-5,7-8H,9H2;3-4,6-7H,8H2,1-2H3;/q3*-1;+3
InChIKeyYQDACAJUJDTZJC-UHFFFAOYSA-N
MW555.86 g/mol
LogP7.66
Rot. Bonds2

About bis(1,9-dihydrofluoren-1-ide);N,N-dimethyl-1-phenylmethanamine;zirconium(3+)

bis(1,9-dihydrofluoren-1-ide);N,N-dimethyl-1-phenylmethanamine;zirconium(3+) (PubChem CID 173317648) has the molecular formula C35H30NZr and a molecular weight of 555.86 g/mol. Its IUPAC name is bis(1,9-dihydrofluoren-1-ide);N,N-dimethyl-1-phenylmethanamine;zirconium(3+).

Molecular Properties

Compound Namebis(1,9-dihydrofluoren-1-ide);N,N-dimethyl-1-phenylmethanamine;zirconium(3+)
PubChem CID173317648
Molecular FormulaC35H30NZr
Molecular Weight555.86 g/mol
Exact Mass554.14
IUPAC Namebis(1,9-dihydrofluoren-1-ide);N,N-dimethyl-1-phenylmethanamine;zirconium(3+)
SMILESCN(C)Cc1c[c-]ccc1.[Zr+3].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/2C13H9.C9H12N.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-10(2)8-9-6-4-3-5-7-9;/h2*1-5,7-8H,9H2;3-4,6-7H,8H2,1-2H3;/q3*-1;+3
InChIKeyYQDACAJUJDTZJC-UHFFFAOYSA-N
XLogP7.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.86
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
CID 157229521
bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
CID 19698863
1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride
CID 173097726
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide
CID 173097773
bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
CID 22027323
CID 154493054
CID 154493054
butane;1,9-dihydrofluoren-1-ide;titanium(4+)
CID 150363800
bis(1,9-dihydrofluoren-1-ide);dimethylgermylidenezirconium(2+);dichloride
CID 159771388
carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium
CID 173275196
dilithium;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide
CID 19418222
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+)
CID 23102965

Frequently Asked Questions

What is the IUPAC name of bis(1,9-dihydrofluoren-1-ide);N,N-dimethyl-1-phenylmethanamine;zirconium(3+)?
The IUPAC name of bis(1,9-dihydrofluoren-1-ide);N,N-dimethyl-1-phenylmethanamine;zirconium(3+) (CID 173317648) is bis(1,9-dihydrofluoren-1-ide);N,N-dimethyl-1-phenylmethanamine;zirconium(3+).
What is the SMILES notation for bis(1,9-dihydrofluoren-1-ide);N,N-dimethyl-1-phenylmethanamine;zirconium(3+)?
The canonical SMILES for bis(1,9-dihydrofluoren-1-ide);N,N-dimethyl-1-phenylmethanamine;zirconium(3+) is CN(C)Cc1c[c-]ccc1.[Zr+3].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of bis(1,9-dihydrofluoren-1-ide);N,N-dimethyl-1-phenylmethanamine;zirconium(3+)?
The InChIKey is YQDACAJUJDTZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9.C9H12N.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-10(2)8-9-6-4-3-5-7-9;/h2*1-5,7-8H,9H2;3-4,6-7H,8H2,1-2H3;/q3*-1;+3.
What are the key properties of bis(1,9-dihydrofluoren-1-ide);N,N-dimethyl-1-phenylmethanamine;zirconium(3+)?
bis(1,9-dihydrofluoren-1-ide);N,N-dimethyl-1-phenylmethanamine;zirconium(3+) has a molecular weight of 555.86 g/mol, XLogP of 7.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,9-dihydrofluoren-1-ide);N,N-dimethyl-1-phenylmethanamine;zirconium(3+) is sourced from PubChem (CID 173317648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).