dioxido-(9-phenylcarbazol-3-yl)borane

C18H12BNO2-2 — CID 86629095

IUPACdioxido-(9-phenylcarbazol-3-yl)borane
SMILES[O-]B([O-])c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C18H12BNO2/c21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-12H/q-2
InChIKeyXFMQULSEJKNGEC-UHFFFAOYSA-N
MW285.11 g/mol
LogP1.20
Rot. Bonds2

About dioxido-(9-phenylcarbazol-3-yl)borane

dioxido-(9-phenylcarbazol-3-yl)borane (PubChem CID 86629095) has the molecular formula C18H12BNO2-2 and a molecular weight of 285.11 g/mol. Its IUPAC name is dioxido-(9-phenylcarbazol-3-yl)borane.

Molecular Properties

Compound Namedioxido-(9-phenylcarbazol-3-yl)borane
PubChem CID86629095
Molecular FormulaC18H12BNO2-2
Molecular Weight285.11 g/mol
Exact Mass285.10
IUPAC Namedioxido-(9-phenylcarbazol-3-yl)borane
SMILES[O-]B([O-])c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C18H12BNO2/c21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-12H/q-2
InChIKeyXFMQULSEJKNGEC-UHFFFAOYSA-N
XLogP1.20
TPSA51.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane
CID 167052172
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
triphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane
CID 138489099
3-iodo-9-phenylcarbazole
CID 11810740
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
carbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane
CID 175633031
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013

Frequently Asked Questions

What is the IUPAC name of dioxido-(9-phenylcarbazol-3-yl)borane?
The IUPAC name of dioxido-(9-phenylcarbazol-3-yl)borane (CID 86629095) is dioxido-(9-phenylcarbazol-3-yl)borane.
What is the SMILES notation for dioxido-(9-phenylcarbazol-3-yl)borane?
The canonical SMILES for dioxido-(9-phenylcarbazol-3-yl)borane is [O-]B([O-])c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of dioxido-(9-phenylcarbazol-3-yl)borane?
The InChIKey is XFMQULSEJKNGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BNO2/c21-19(22)13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-12H/q-2.
What are the key properties of dioxido-(9-phenylcarbazol-3-yl)borane?
dioxido-(9-phenylcarbazol-3-yl)borane has a molecular weight of 285.11 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido-(9-phenylcarbazol-3-yl)borane is sourced from PubChem (CID 86629095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).