1-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)ethylidene-methylborane

C31H27B — CID 142504823

IUPAC1-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)ethylidene-methylborane
SMILESC/B=C(\C)c1cccc2c1-c1ccccc1C21c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C31H27B/c1-20(32-4)21-13-11-19-28-29(21)22-12-5-6-14-23(22)31(28)26-17-9-7-15-24(26)30(2,3)25-16-8-10-18-27(25)31/h5-19H,1-4H3
InChIKeyUZOMJNYHFIEMIW-UHFFFAOYSA-N
MW410.37 g/mol
LogP6.98
Rot. Bonds1

About 1-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)ethylidene-methylborane

1-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)ethylidene-methylborane (PubChem CID 142504823) has the molecular formula C31H27B and a molecular weight of 410.37 g/mol. Its IUPAC name is 1-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)ethylidene-methylborane.

Molecular Properties

Compound Name1-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)ethylidene-methylborane
PubChem CID142504823
Molecular FormulaC31H27B
Molecular Weight410.37 g/mol
Exact Mass410.22
IUPAC Name1-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)ethylidene-methylborane
SMILESC/B=C(\C)c1cccc2c1-c1ccccc1C21c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C31H27B/c1-20(32-4)21-13-11-19-28-29(21)22-12-5-6-14-23(22)31(28)26-17-9-7-15-24(26)30(2,3)25-16-8-10-18-27(25)31/h5-19H,1-4H3
InChIKeyUZOMJNYHFIEMIW-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.37
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465
bis(9,9'-spirobi[fluorene]-4'-yl)methanone
CID 90059622
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 153302560
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 153302614
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
9,9'-spirobi[fluorene]-4'-ylboronic acid
CID 71249292
3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)benzonitrile
CID 146495516
N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
benzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline
CID 142480948

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)ethylidene-methylborane?
The IUPAC name of 1-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)ethylidene-methylborane (CID 142504823) is 1-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)ethylidene-methylborane.
What is the SMILES notation for 1-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)ethylidene-methylborane?
The canonical SMILES for 1-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)ethylidene-methylborane is C/B=C(\C)c1cccc2c1-c1ccccc1C21c2ccccc2C(C)(C)c2ccccc21.
What is the InChIKey of 1-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)ethylidene-methylborane?
The InChIKey is UZOMJNYHFIEMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27B/c1-20(32-4)21-13-11-19-28-29(21)22-12-5-6-14-23(22)31(28)26-17-9-7-15-24(26)30(2,3)25-16-8-10-18-27(25)31/h5-19H,1-4H3.
What are the key properties of 1-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)ethylidene-methylborane?
1-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)ethylidene-methylborane has a molecular weight of 410.37 g/mol, XLogP of 6.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)ethylidene-methylborane is sourced from PubChem (CID 142504823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).