3-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile

C171H123N7 — CID 164950108

IUPAC3-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc54)c3)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7cc(C#N)ccc76)ccc54)c3)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H]
InChIInChI=1S/C62H52N2.C55H35N3.C54H36N2/c1-61(2,3)46-29-32-57-53(38-46)54-39-47(62(4,5)6)30-33-58(54)64(57)49-31-34-59-55(40-49)50-27-16-17-28-56(50)63(59)48-26-18-25-44(35-48)60-51(42-21-12-8-13-22-42)36-45(41-19-10-7-11-20-41)37-52(60)43-23-14-9-15-24-43;56-36-37-27-29-53-49(31-37)45-23-10-12-25-51(45)58(53)44-28-30-54-50(35-44)46-24-11-13-26-52(46)57(54)43-22-14-21-41(32-43)55-47(39-17-6-2-7-18-39)33-42(38-15-4-1-5-16-38)34-48(55)40-19-8-3-9-20-40;1-4-17-37(18-5-1)41-34-47(38-19-6-2-7-20-38)54(48(35-41)39-21-8-3-9-22-39)40-23-16-24-42(33-40)55-52-30-15-12-27-46(52)49-36-43(31-32-53(49)55)56-50-28-13-10-25-44(50)45-26-11-14-29-51(45)56/h7-40H,1-6H3;1-35H;1-36H/i7D,8D,9D,10D,11D,12D,13D,14D,15D,19D,20D,21D,22D,23D,24D;1D,2D,3D,4D,5D,6D,7D,8D,9D,15D,16D,17D,18D,19D,20D;1D,2D,3D,4D,5D,6D,7D,8D,9D,17D,18D,19D,20D,21D,22D
InChIKeyAKHZSXWDJXDJMN-BPLKOYBGSA-N
MW2321.19 g/mol
LogP46.11
Rot. Bonds18

About 3-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile

3-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile (PubChem CID 164950108) has the molecular formula C171H123N7 and a molecular weight of 2321.19 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile
PubChem CID164950108
Molecular FormulaC171H123N7
Molecular Weight2321.19 g/mol
Exact Mass2319.27
IUPAC Name3-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc54)c3)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7cc(C#N)ccc76)ccc54)c3)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H]
InChIInChI=1S/C62H52N2.C55H35N3.C54H36N2/c1-61(2,3)46-29-32-57-53(38-46)54-39-47(62(4,5)6)30-33-58(54)64(57)49-31-34-59-55(40-49)50-27-16-17-28-56(50)63(59)48-26-18-25-44(35-48)60-51(42-21-12-8-13-22-42)36-45(41-19-10-7-11-20-41)37-52(60)43-23-14-9-15-24-43;56-36-37-27-29-53-49(31-37)45-23-10-12-25-51(45)58(53)44-28-30-54-50(35-44)46-24-11-13-26-52(46)57(54)43-22-14-21-41(32-43)55-47(39-17-6-2-7-18-39)33-42(38-15-4-1-5-16-38)34-48(55)40-19-8-3-9-20-40;1-4-17-37(18-5-1)41-34-47(38-19-6-2-7-20-38)54(48(35-41)39-21-8-3-9-22-39)40-23-16-24-42(33-40)55-52-30-15-12-27-46(52)49-36-43(31-32-53(49)55)56-50-28-13-10-25-44(50)45-26-11-14-29-51(45)56/h7-40H,1-6H3;1-35H;1-36H/i7D,8D,9D,10D,11D,12D,13D,14D,15D,19D,20D,21D,22D,23D,24D;1D,2D,3D,4D,5D,6D,7D,8D,9D,15D,16D,17D,18D,19D,20D;1D,2D,3D,4D,5D,6D,7D,8D,9D,17D,18D,19D,20D,21D,22D
InChIKeyAKHZSXWDJXDJMN-BPLKOYBGSA-N
XLogP46.11
TPSA53.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms178
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002321.19
LogP ≤ 546.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile with MolForge

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Related Compounds

3-carbazol-9-yl-9-[3-(2,4,6-triphenylphenyl)phenyl]carbazole;3,6-dimethyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-3-yl]carbazole;9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164993566
3,9-bis[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-ylcarbazole;9-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,6-di(carbazol-9-yl)carbazole;3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 164976427
9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 118650216
1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517488
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958752
[6-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane;1,2,3,4,5,6,7-heptadeuterio-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;1,2,3,4-tetradeuterio-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 165095571
4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile
CID 138675154
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-carbazol-9-yl-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 164756668
9-(3-tert-butylphenyl)carbazole-2-carbonitrile
CID 164818616
3-tert-butyl-6-deuterio-9-[3-[3-(3,6-dideuteriocarbazol-9-yl)phenyl]phenyl]carbazole
CID 59399854
9-[8-(3-tert-butylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile;9-[3-(3-tert-butylcarbazol-9-yl)phenyl]carbazole-3-carbonitrile;9-[3-(3-tert-butylcarbazol-9-yl)phenyl]carbazole-3,6-dicarbonitrile;9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3-carbonitrile;9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile;9-[3-(3-trimethylsilylcarbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 164969672

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile?
The IUPAC name of 3-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile (CID 164950108) is 3-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 3-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile?
The canonical SMILES for 3-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile is [2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)ccc54)c3)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7cc(C#N)ccc76)ccc54)c3)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3)c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2)c([2H])c1[2H].
What is the InChIKey of 3-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile?
The InChIKey is AKHZSXWDJXDJMN-BPLKOYBGSA-N. The full InChI is InChI=1S/C62H52N2.C55H35N3.C54H36N2/c1-61(2,3)46-29-32-57-53(38-46)54-39-47(62(4,5)6)30-33-58(54)64(57)49-31-34-59-55(40-49)50-27-16-17-28-56(50)63(59)48-26-18-25-44(35-48)60-51(42-21-12-8-13-22-42)36-45(41-19-10-7-11-20-41)37-52(60)43-23-14-9-15-24-43;56-36-37-27-29-53-49(31-37)45-23-10-12-25-51(45)58(53)44-28-30-54-50(35-44)46-24-11-13-26-52(46)57(54)43-22-14-21-41(32-43)55-47(39-17-6-2-7-18-39)33-42(38-15-4-1-5-16-38)34-48(55)40-19-8-3-9-20-40;1-4-17-37(18-5-1)41-34-47(38-19-6-2-7-20-38)54(48(35-41)39-21-8-3-9-22-39)40-23-16-24-42(33-40)55-52-30-15-12-27-46(52)49-36-43(31-32-53(49)55)56-50-28-13-10-25-44(50)45-26-11-14-29-51(45)56/h7-40H,1-6H3;1-35H;1-36H/i7D,8D,9D,10D,11D,12D,13D,14D,15D,19D,20D,21D,22D,23D,24D;1D,2D,3D,4D,5D,6D,7D,8D,9D,15D,16D,17D,18D,19D,20D;1D,2D,3D,4D,5D,6D,7D,8D,9D,17D,18D,19D,20D,21D,22D.
What are the key properties of 3-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile?
3-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile has a molecular weight of 2321.19 g/mol, XLogP of 46.11, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole;3,6-ditert-butyl-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 164950108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).