2-chloro-4,6-diphenyl-1,3,5-triazine;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]carbazole;9-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]carbazole

C96H68BClN8O2 — CID 158292157

IUPAC2-chloro-4,6-diphenyl-1,3,5-triazine;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]carbazole;9-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]carbazole
SMILESCC1(C)OB(c2cccc3c2c2ccccc2c2cccc(-n4c5ccccc5c5ccccc54)c23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3ccccc3c3cccc(-n5c6ccccc6c6ccccc65)c34)n2)cc1
InChIInChI=1S/C45H28N4.C36H30BNO2.C15H10ClN3/c1-3-15-29(16-4-1)43-46-44(30-17-5-2-6-18-30)48-45(47-43)37-25-13-24-36-41(37)34-22-8-7-19-31(34)35-23-14-28-40(42(35)36)49-38-26-11-9-20-32(38)33-21-10-12-27-39(33)49;1-35(2)36(3,4)40-37(39-35)29-19-11-18-28-33(29)26-16-6-5-13-23(26)27-17-12-22-32(34(27)28)38-30-20-9-7-14-24(30)25-15-8-10-21-31(25)38;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-28H;5-22H,1-4H3;1-10H
InChIKeyGLMGQXDGIBNDEV-UHFFFAOYSA-N
MW1411.92 g/mol
LogP23.83
Rot. Bonds8

About 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]carbazole;9-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]carbazole

2-chloro-4,6-diphenyl-1,3,5-triazine;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]carbazole;9-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]carbazole (PubChem CID 158292157) has the molecular formula C96H68BClN8O2 and a molecular weight of 1411.92 g/mol. Its IUPAC name is 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]carbazole;9-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]carbazole.

Molecular Properties

Compound Name2-chloro-4,6-diphenyl-1,3,5-triazine;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]carbazole;9-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]carbazole
PubChem CID158292157
Molecular FormulaC96H68BClN8O2
Molecular Weight1411.92 g/mol
Exact Mass1410.52
IUPAC Name2-chloro-4,6-diphenyl-1,3,5-triazine;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]carbazole;9-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]carbazole
SMILESCC1(C)OB(c2cccc3c2c2ccccc2c2cccc(-n4c5ccccc5c5ccccc54)c23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3ccccc3c3cccc(-n5c6ccccc6c6ccccc65)c34)n2)cc1
InChIInChI=1S/C45H28N4.C36H30BNO2.C15H10ClN3/c1-3-15-29(16-4-1)43-46-44(30-17-5-2-6-18-30)48-45(47-43)37-25-13-24-36-41(37)34-22-8-7-19-31(34)35-23-14-28-40(42(35)36)49-38-26-11-9-20-32(38)33-21-10-12-27-39(33)49;1-35(2)36(3,4)40-37(39-35)29-19-11-18-28-33(29)26-16-6-5-13-23(26)27-17-12-22-32(34(27)28)38-30-20-9-7-14-24(30)25-15-8-10-21-31(25)38;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-28H;5-22H,1-4H3;1-10H
InChIKeyGLMGQXDGIBNDEV-UHFFFAOYSA-N
XLogP23.83
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001411.92
LogP ≤ 523.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]carbazole;9-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]carbazole with MolForge

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Related Compounds

2-chloro-4,6-diphenyl-1,3,5-triazine;9-[2-chloro-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;iodomethane
CID 160784748
9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;9-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;4,4,5,5-tetramethyl-2-(9-phenyldibenzofuran-3-yl)-1,3,2-dioxaborolane
CID 160743240
9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166961356
9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole
CID 156903324
9-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl]carbazole
CID 146258992
9-[3-[4-phenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147372231
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-triphenylen-1-ylphenyl)indolo[3,2-b]carbazole
CID 170542496
9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole
CID 156803722
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]carbazole
CID 166952899
2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]-1,3,5-triazine
CID 163425241
9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole
CID 176773398
boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158893462

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]carbazole;9-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]carbazole?
The IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]carbazole;9-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]carbazole (CID 158292157) is 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]carbazole;9-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]carbazole.
What is the SMILES notation for 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]carbazole;9-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]carbazole?
The canonical SMILES for 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]carbazole;9-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]carbazole is CC1(C)OB(c2cccc3c2c2ccccc2c2cccc(-n4c5ccccc5c5ccccc54)c23)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3ccccc3c3cccc(-n5c6ccccc6c6ccccc65)c34)n2)cc1.
What is the InChIKey of 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]carbazole;9-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]carbazole?
The InChIKey is GLMGQXDGIBNDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4.C36H30BNO2.C15H10ClN3/c1-3-15-29(16-4-1)43-46-44(30-17-5-2-6-18-30)48-45(47-43)37-25-13-24-36-41(37)34-22-8-7-19-31(34)35-23-14-28-40(42(35)36)49-38-26-11-9-20-32(38)33-21-10-12-27-39(33)49;1-35(2)36(3,4)40-37(39-35)29-19-11-18-28-33(29)26-16-6-5-13-23(26)27-17-12-22-32(34(27)28)38-30-20-9-7-14-24(30)25-15-8-10-21-31(25)38;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-28H;5-22H,1-4H3;1-10H.
What are the key properties of 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]carbazole;9-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]carbazole?
2-chloro-4,6-diphenyl-1,3,5-triazine;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]carbazole;9-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]carbazole has a molecular weight of 1411.92 g/mol, XLogP of 23.83, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]carbazole;9-[9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-1-yl]carbazole is sourced from PubChem (CID 158292157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).