3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile

C159H97N13OS — CID 159560310

IUPAC3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1.N#Cc1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5cccc6c5oc5ccccc56)cc43)c2)c1.N#Cc1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5cccc6c5sc5ccccc56)cc43)c2)c1
InChIInChI=1S/C53H33N5.C53H32N4O.C53H32N4S/c54-34-35-14-13-19-38(28-35)39-29-40(53-55-47(36-15-3-1-4-16-36)33-48(56-53)37-17-5-2-6-18-37)31-42(30-39)58-51-25-12-9-22-45(51)46-32-41(26-27-52(46)58)57-49-23-10-7-20-43(49)44-21-8-11-24-50(44)57;2*54-33-34-13-11-18-37(27-34)39-28-40(53-55-47(35-14-3-1-4-15-35)32-48(56-53)36-16-5-2-6-17-36)30-41(29-39)57-49-23-9-7-19-43(49)44-26-25-38(31-50(44)57)42-21-12-22-46-45-20-8-10-24-51(45)58-52(42)46/h1-33H;2*1-32H
InChIKeyMGNFLPRREARFJU-UHFFFAOYSA-N
MW2237.68 g/mol
LogP41.04
Rot. Bonds18

About 3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile

3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile (PubChem CID 159560310) has the molecular formula C159H97N13OS and a molecular weight of 2237.68 g/mol. Its IUPAC name is 3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
PubChem CID159560310
Molecular FormulaC159H97N13OS
Molecular Weight2237.68 g/mol
Exact Mass2235.77
IUPAC Name3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1.N#Cc1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5cccc6c5oc5ccccc56)cc43)c2)c1.N#Cc1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5cccc6c5sc5ccccc56)cc43)c2)c1
InChIInChI=1S/C53H33N5.C53H32N4O.C53H32N4S/c54-34-35-14-13-19-38(28-35)39-29-40(53-55-47(36-15-3-1-4-16-36)33-48(56-53)37-17-5-2-6-18-37)31-42(30-39)58-51-25-12-9-22-45(51)46-32-41(26-27-52(46)58)57-49-23-10-7-20-43(49)44-21-8-11-24-50(44)57;2*54-33-34-13-11-18-37(27-34)39-28-40(53-55-47(35-14-3-1-4-15-35)32-48(56-53)36-16-5-2-6-17-36)30-41(29-39)57-49-23-9-7-19-43(49)44-26-25-38(31-50(44)57)42-21-12-22-46-45-20-8-10-24-51(45)58-52(42)46/h1-33H;2*1-32H
InChIKeyMGNFLPRREARFJU-UHFFFAOYSA-N
XLogP41.04
TPSA181.57 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002237.68
LogP ≤ 541.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile with MolForge

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Related Compounds

3-[2-dibenzofuran-4-yl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile;3-[3-[3-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile;3-[2-dibenzothiophen-4-yl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile;3-[3-dibenzothiophen-4-yl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile;methane
CID 164981642
3-[3-dibenzofuran-4-yl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzonitrile;2-dibenzofuran-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 160766797
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole;2-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 158797000
2-dibenzofuran-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 159942407
2-dibenzofuran-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;2-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 157382903
3-(3-dibenzofuran-2-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 161059365
2-carbazol-9-yl-9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[4-(3-dibenzofuran-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 159901697
2-dibenzofuran-4-yl-6-[3-methyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-[3-methyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 165084340
2-dibenzofuran-4-yl-6-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole;2-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole;3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-[6-[3-(4-phenylphenyl)phenyl]-2-pyridinyl]carbazole
CID 158777539
7-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 126580289
3-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 126580295
7-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 126580279

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile?
The IUPAC name of 3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile (CID 159560310) is 3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile.
What is the SMILES notation for 3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile?
The canonical SMILES for 3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile is N#Cc1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1.N#Cc1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5cccc6c5oc5ccccc56)cc43)c2)c1.N#Cc1cccc(-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccc(-c5cccc6c5sc5ccccc56)cc43)c2)c1.
What is the InChIKey of 3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile?
The InChIKey is MGNFLPRREARFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5.C53H32N4O.C53H32N4S/c54-34-35-14-13-19-38(28-35)39-29-40(53-55-47(36-15-3-1-4-16-36)33-48(56-53)37-17-5-2-6-18-37)31-42(30-39)58-51-25-12-9-22-45(51)46-32-41(26-27-52(46)58)57-49-23-10-7-20-43(49)44-21-8-11-24-50(44)57;2*54-33-34-13-11-18-37(27-34)39-28-40(53-55-47(35-14-3-1-4-15-35)32-48(56-53)36-16-5-2-6-17-36)30-41(29-39)57-49-23-9-7-19-43(49)44-26-25-38(31-50(44)57)42-21-12-22-46-45-20-8-10-24-51(45)58-52(42)46/h1-33H;2*1-32H.
What are the key properties of 3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile?
3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile has a molecular weight of 2237.68 g/mol, XLogP of 41.04, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzofuran-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile;3-[3-(2-dibenzothiophen-4-ylcarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile is sourced from PubChem (CID 159560310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).