3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)benzonitrile;9-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]carbazole;2-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C119H75N9O — CID 158402790

IUPAC3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)benzonitrile;9-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]carbazole;2-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESN#Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1ccccc1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)c4)c3)n2)cc1
InChIInChI=1S/C45H29N3O.2C37H23N3/c1-3-12-30(13-4-1)43-46-44(31-14-5-2-6-15-31)48-45(47-43)38-21-11-20-36(28-38)34-18-9-16-32(26-34)33-17-10-19-35(27-33)37-24-25-42-40(29-37)39-22-7-8-23-41(39)49-42;1-38-33-17-7-2-12-28(33)25-22-26(39-34-18-8-3-13-29(34)30-14-4-9-19-35(30)39)24-27(23-25)40-36-20-10-5-15-31(36)32-16-6-11-21-37(32)40;38-24-25-20-27(23-29(21-25)40-36-18-7-3-14-32(36)33-15-4-8-19-37(33)40)26-10-9-11-28(22-26)39-34-16-5-1-12-30(34)31-13-2-6-17-35(31)39/h1-29H;2-24H;1-23H
InChIKeyGYHRFELWXOZUMI-UHFFFAOYSA-N
MW1646.97 g/mol
LogP31.29
Rot. Bonds12

About 3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)benzonitrile;9-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]carbazole;2-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)benzonitrile;9-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]carbazole;2-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 158402790) has the molecular formula C119H75N9O and a molecular weight of 1646.97 g/mol. Its IUPAC name is 3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)benzonitrile;9-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]carbazole;2-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)benzonitrile;9-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]carbazole;2-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID158402790
Molecular FormulaC119H75N9O
Molecular Weight1646.97 g/mol
Exact Mass1645.61
IUPAC Name3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)benzonitrile;9-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]carbazole;2-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESN#Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1ccccc1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)c4)c3)n2)cc1
InChIInChI=1S/C45H29N3O.2C37H23N3/c1-3-12-30(13-4-1)43-46-44(31-14-5-2-6-15-31)48-45(47-43)38-21-11-20-36(28-38)34-18-9-16-32(26-34)33-17-10-19-35(27-33)37-24-25-42-40(29-37)39-22-7-8-23-41(39)49-42;1-38-33-17-7-2-12-28(33)25-22-26(39-34-18-8-3-13-29(34)30-14-4-9-19-35(30)39)24-27(23-25)40-36-20-10-5-15-31(36)32-16-6-11-21-37(32)40;38-24-25-20-27(23-29(21-25)40-36-18-7-3-14-32(36)33-15-4-8-19-37(33)40)26-10-9-11-28(22-26)39-34-16-5-1-12-30(34)31-13-2-6-17-35(31)39/h1-29H;2-24H;1-23H
InChIKeyGYHRFELWXOZUMI-UHFFFAOYSA-N
XLogP31.29
TPSA99.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001646.97
LogP ≤ 531.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)benzonitrile;9-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]carbazole;2-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

3-[2-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)phenyl]benzonitrile
CID 126610434
3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 129225847
3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158205728
3-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-isocyanobenzonitrile
CID 155627999
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-isocyanophenyl)phenyl]carbazole
CID 140922330
5-[8-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]benzene-1,3-dicarbonitrile
CID 122575941
9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158561754
3-carbazol-9-yl-5-(8-phenyldibenzofuran-4-yl)benzonitrile
CID 126761717
3-dibenzofuran-2-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-2-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 159859933
3-[8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[8-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 159222480
3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 151400345
2-[3-[4-(2-isocyanophenyl)phenyl]dibenzofuran-4-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzene-1,3-dicarbonitrile;5-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzene-1,3-dicarbonitrile;3-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]benzonitrile
CID 158961174

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)benzonitrile;9-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]carbazole;2-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)benzonitrile;9-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]carbazole;2-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 158402790) is 3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)benzonitrile;9-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]carbazole;2-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)benzonitrile;9-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]carbazole;2-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)benzonitrile;9-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]carbazole;2-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is N#Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.[C-]#[N+]c1ccccc1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)c4)c3)n2)cc1.
What is the InChIKey of 3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)benzonitrile;9-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]carbazole;2-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is GYHRFELWXOZUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O.2C37H23N3/c1-3-12-30(13-4-1)43-46-44(31-14-5-2-6-15-31)48-45(47-43)38-21-11-20-36(28-38)34-18-9-16-32(26-34)33-17-10-19-35(27-33)37-24-25-42-40(29-37)39-22-7-8-23-41(39)49-42;1-38-33-17-7-2-12-28(33)25-22-26(39-34-18-8-3-13-29(34)30-14-4-9-19-35(30)39)24-27(23-25)40-36-20-10-5-15-31(36)32-16-6-11-21-37(32)40;38-24-25-20-27(23-29(21-25)40-36-18-7-3-14-32(36)33-15-4-8-19-37(33)40)26-10-9-11-28(22-26)39-34-16-5-1-12-30(34)31-13-2-6-17-35(31)39/h1-29H;2-24H;1-23H.
What are the key properties of 3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)benzonitrile;9-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]carbazole;2-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)benzonitrile;9-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]carbazole;2-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1646.97 g/mol, XLogP of 31.29, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-5-(3-carbazol-9-ylphenyl)benzonitrile;9-[3-carbazol-9-yl-5-(2-isocyanophenyl)phenyl]carbazole;2-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 158402790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).