9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3-carbonitrile

C25H23BN2O2 — CID 150721873

IUPAC9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3-carbonitrile
SMILESCC1(C)OB(c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc2)OC1(C)C
InChIInChI=1S/C25H23BN2O2/c1-24(2)25(3,4)30-26(29-24)18-10-12-19(13-11-18)28-22-8-6-5-7-20(22)21-15-17(16-27)9-14-23(21)28/h5-15H,1-4H3
InChIKeyJQAGQBQCYRXUHV-UHFFFAOYSA-N
MW394.28 g/mol
LogP4.95
Rot. Bonds2

About 9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3-carbonitrile

9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3-carbonitrile (PubChem CID 150721873) has the molecular formula C25H23BN2O2 and a molecular weight of 394.28 g/mol. Its IUPAC name is 9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3-carbonitrile
PubChem CID150721873
Molecular FormulaC25H23BN2O2
Molecular Weight394.28 g/mol
Exact Mass394.19
IUPAC Name9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3-carbonitrile
SMILESCC1(C)OB(c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc2)OC1(C)C
InChIInChI=1S/C25H23BN2O2/c1-24(2)25(3,4)30-26(29-24)18-10-12-19(13-11-18)28-22-8-6-5-7-20(22)21-15-17(16-27)9-14-23(21)28/h5-15H,1-4H3
InChIKeyJQAGQBQCYRXUHV-UHFFFAOYSA-N
XLogP4.95
TPSA47.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
5,10-di(carbazol-9-yl)-15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 140865964
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
10-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridin-9-one
CID 89182990
10-phenyl-21-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10,21-diazapentacyclo[11.9.0.03,11.04,9.014,19]docosa-1(13),2,4,6,8,11,14,16,18-nonaene-20,22-dione
CID 170683303
9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]carbazole
CID 170671268
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
2-[3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]benzonitrile
CID 171431279
9-(4-bromophenyl)-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 149079009
5-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrido[3,2-b]indole
CID 142725070

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3-carbonitrile (CID 150721873) is 9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3-carbonitrile is CC1(C)OB(c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc2)OC1(C)C.
What is the InChIKey of 9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3-carbonitrile?
The InChIKey is JQAGQBQCYRXUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BN2O2/c1-24(2)25(3,4)30-26(29-24)18-10-12-19(13-11-18)28-22-8-6-5-7-20(22)21-15-17(16-27)9-14-23(21)28/h5-15H,1-4H3.
What are the key properties of 9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3-carbonitrile?
9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3-carbonitrile has a molecular weight of 394.28 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 150721873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).