9,10-dibromoanthracene;(10-dimethylboranylanthracen-9-yl)-dimethylborane

C32H28B2Br2 — CID 158140657

IUPAC9,10-dibromoanthracene;(10-dimethylboranylanthracen-9-yl)-dimethylborane
SMILESBrc1c2ccccc2c(Br)c2ccccc12.CB(C)c1c2ccccc2c(B(C)C)c2ccccc12
InChIInChI=1S/C18H20B2.C14H8Br2/c1-19(2)17-13-9-5-7-11-15(13)18(20(3)4)16-12-8-6-10-14(16)17;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h5-12H,1-4H3;1-8H
InChIKeyFTWYOHGXWSJSQE-UHFFFAOYSA-N
MW594.01 g/mol
LogP9.43
Rot. Bonds2

About 9,10-dibromoanthracene;(10-dimethylboranylanthracen-9-yl)-dimethylborane

9,10-dibromoanthracene;(10-dimethylboranylanthracen-9-yl)-dimethylborane (PubChem CID 158140657) has the molecular formula C32H28B2Br2 and a molecular weight of 594.01 g/mol. Its IUPAC name is 9,10-dibromoanthracene;(10-dimethylboranylanthracen-9-yl)-dimethylborane.

Molecular Properties

Compound Name9,10-dibromoanthracene;(10-dimethylboranylanthracen-9-yl)-dimethylborane
PubChem CID158140657
Molecular FormulaC32H28B2Br2
Molecular Weight594.01 g/mol
Exact Mass592.07
IUPAC Name9,10-dibromoanthracene;(10-dimethylboranylanthracen-9-yl)-dimethylborane
SMILESBrc1c2ccccc2c(Br)c2ccccc12.CB(C)c1c2ccccc2c(B(C)C)c2ccccc12
InChIInChI=1S/C18H20B2.C14H8Br2/c1-19(2)17-13-9-5-7-11-15(13)18(20(3)4)16-12-8-6-10-14(16)17;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h5-12H,1-4H3;1-8H
InChIKeyFTWYOHGXWSJSQE-UHFFFAOYSA-N
XLogP9.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.01
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-dibromoanthracene;(10-dimethylboranylanthracen-9-yl)-dimethylborane?
The IUPAC name of 9,10-dibromoanthracene;(10-dimethylboranylanthracen-9-yl)-dimethylborane (CID 158140657) is 9,10-dibromoanthracene;(10-dimethylboranylanthracen-9-yl)-dimethylborane.
What is the SMILES notation for 9,10-dibromoanthracene;(10-dimethylboranylanthracen-9-yl)-dimethylborane?
The canonical SMILES for 9,10-dibromoanthracene;(10-dimethylboranylanthracen-9-yl)-dimethylborane is Brc1c2ccccc2c(Br)c2ccccc12.CB(C)c1c2ccccc2c(B(C)C)c2ccccc12.
What is the InChIKey of 9,10-dibromoanthracene;(10-dimethylboranylanthracen-9-yl)-dimethylborane?
The InChIKey is FTWYOHGXWSJSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20B2.C14H8Br2/c1-19(2)17-13-9-5-7-11-15(13)18(20(3)4)16-12-8-6-10-14(16)17;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h5-12H,1-4H3;1-8H.
What are the key properties of 9,10-dibromoanthracene;(10-dimethylboranylanthracen-9-yl)-dimethylborane?
9,10-dibromoanthracene;(10-dimethylboranylanthracen-9-yl)-dimethylborane has a molecular weight of 594.01 g/mol, XLogP of 9.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dibromoanthracene;(10-dimethylboranylanthracen-9-yl)-dimethylborane is sourced from PubChem (CID 158140657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).