9-(3-bromo-5-cyanophenyl)carbazole-3-carbonitrile;9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile;9-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole

C94H64BBrN8O2 — CID 157078514

IUPAC9-(3-bromo-5-cyanophenyl)carbazole-3-carbonitrile;9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile;9-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole
SMILESCC1(C)OB(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)OC1(C)C.N#Cc1cc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1.N#Cc1cc(Br)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C44H26N4.C30H28BNO2.C20H10BrN3/c45-27-29-17-22-44-39(25-29)38-12-4-6-14-41(38)47(44)34-24-30(28-46)23-33(26-34)31-18-20-32(21-19-31)35-9-1-5-13-40(35)48-42-15-7-2-10-36(42)37-11-3-8-16-43(37)48;1-29(2)30(3,4)34-31(33-29)22-19-17-21(18-20-22)23-11-5-8-14-26(23)32-27-15-9-6-12-24(27)25-13-7-10-16-28(25)32;21-15-7-14(12-23)8-16(10-15)24-19-4-2-1-3-17(19)18-9-13(11-22)5-6-20(18)24/h1-26H;5-20H,1-4H3;1-10H
InChIKeyADGJBWCCLGNGIJ-UHFFFAOYSA-N
MW1428.32 g/mol
LogP23.00
Rot. Bonds8

About 9-(3-bromo-5-cyanophenyl)carbazole-3-carbonitrile;9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile;9-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole

9-(3-bromo-5-cyanophenyl)carbazole-3-carbonitrile;9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile;9-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole (PubChem CID 157078514) has the molecular formula C94H64BBrN8O2 and a molecular weight of 1428.32 g/mol. Its IUPAC name is 9-(3-bromo-5-cyanophenyl)carbazole-3-carbonitrile;9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile;9-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-(3-bromo-5-cyanophenyl)carbazole-3-carbonitrile;9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile;9-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole
PubChem CID157078514
Molecular FormulaC94H64BBrN8O2
Molecular Weight1428.32 g/mol
Exact Mass1426.44
IUPAC Name9-(3-bromo-5-cyanophenyl)carbazole-3-carbonitrile;9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile;9-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole
SMILESCC1(C)OB(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)OC1(C)C.N#Cc1cc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1.N#Cc1cc(Br)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C44H26N4.C30H28BNO2.C20H10BrN3/c45-27-29-17-22-44-39(25-29)38-12-4-6-14-41(38)47(44)34-24-30(28-46)23-33(26-34)31-18-20-32(21-19-31)35-9-1-5-13-40(35)48-42-15-7-2-10-36(42)37-11-3-8-16-43(37)48;1-29(2)30(3,4)34-31(33-29)22-19-17-21(18-20-22)23-11-5-8-14-26(23)32-27-15-9-6-12-24(27)25-13-7-10-16-28(25)32;21-15-7-14(12-23)8-16(10-15)24-19-4-2-1-3-17(19)18-9-13(11-22)5-6-20(18)24/h1-26H;5-20H,1-4H3;1-10H
InChIKeyADGJBWCCLGNGIJ-UHFFFAOYSA-N
XLogP23.00
TPSA133.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001428.32
LogP ≤ 523.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 9-(3-bromo-5-cyanophenyl)carbazole-3-carbonitrile;9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile;9-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole with MolForge

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Related Compounds

1-Bromo-9-(1-bromocarbazol-9-yl)carbazole;2-[9-[1-(2-isocyano-3-methylphenyl)carbazol-9-yl]carbazol-1-yl]-6-(trifluoromethyl)benzonitrile;molecular hydrogen;sulfanylidene-[[(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfane;sulfanylidene-[[[[(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfane;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)benzonitrile
CID 157772922
2-(9-Phenylcarbazol-3-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 89841045
3-bromo-N,N-diphenyl-5-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 118289192
2,5-Bis[11-phenyl-2-(9-phenylcarbazol-3-yl)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
CID 121328539
2,5-Bis[11-phenyl-2-(9-phenylcarbazol-2-yl)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
CID 121328579
3-[4-(3-Bromo-5-carbazol-9-ylphenyl)phenyl]-9-phenylcarbazole
CID 132029152
3-[4-[3-Bromo-5-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole
CID 132029153
4-[4-[6-[3-[3-[9-[3-(4-Cyanophenyl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
CID 135264738
3-[4-[2-[8-[9-(4-Cyanophenyl)-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 135264739
3-[2-[9-[3-Cyano-2-[5-cyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]phenyl]-6-(2,4,6-trimethylphenyl)carbazol-2-yl]-6-(3,5-dimethylphenyl)carbazol-9-yl]-2-[5-cyano-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 137545268
2-[6-[[4-[9-[5-[3-[2,7-Bis(2,4-dimethylphenyl)carbazol-9-yl]-4-cyanophenyl]-2-cyanophenyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]methyl]-2-(2,4-dimethylphenyl)carbazol-9-yl]-4-[4-cyano-3-[2-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 138736299
2-(9-Phenylcarbazol-3-yl)-9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 140777084

Frequently Asked Questions

What is the IUPAC name of 9-(3-bromo-5-cyanophenyl)carbazole-3-carbonitrile;9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile;9-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-(3-bromo-5-cyanophenyl)carbazole-3-carbonitrile;9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile;9-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole (CID 157078514) is 9-(3-bromo-5-cyanophenyl)carbazole-3-carbonitrile;9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile;9-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-(3-bromo-5-cyanophenyl)carbazole-3-carbonitrile;9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile;9-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-(3-bromo-5-cyanophenyl)carbazole-3-carbonitrile;9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile;9-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole is CC1(C)OB(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)OC1(C)C.N#Cc1cc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1.N#Cc1cc(Br)cc(-n2c3ccccc3c3cc(C#N)ccc32)c1.
What is the InChIKey of 9-(3-bromo-5-cyanophenyl)carbazole-3-carbonitrile;9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile;9-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole?
The InChIKey is ADGJBWCCLGNGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4.C30H28BNO2.C20H10BrN3/c45-27-29-17-22-44-39(25-29)38-12-4-6-14-41(38)47(44)34-24-30(28-46)23-33(26-34)31-18-20-32(21-19-31)35-9-1-5-13-40(35)48-42-15-7-2-10-36(42)37-11-3-8-16-43(37)48;1-29(2)30(3,4)34-31(33-29)22-19-17-21(18-20-22)23-11-5-8-14-26(23)32-27-15-9-6-12-24(27)25-13-7-10-16-28(25)32;21-15-7-14(12-23)8-16(10-15)24-19-4-2-1-3-17(19)18-9-13(11-22)5-6-20(18)24/h1-26H;5-20H,1-4H3;1-10H.
What are the key properties of 9-(3-bromo-5-cyanophenyl)carbazole-3-carbonitrile;9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile;9-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole?
9-(3-bromo-5-cyanophenyl)carbazole-3-carbonitrile;9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile;9-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole has a molecular weight of 1428.32 g/mol, XLogP of 23.00, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bromo-5-cyanophenyl)carbazole-3-carbonitrile;9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3-carbonitrile;9-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 157078514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).