2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,2-dioxaborolane

C96H70BClN6O2 — CID 157291124

IUPAC2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccccc2-c2ccccc2-c2ccc3c4ccccc4c4ccccc4c3c2)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C45H29N3.C36H31BO2.C15H10ClN3/c1-3-15-30(16-4-1)43-46-44(31-17-5-2-6-18-31)48-45(47-43)41-26-14-13-24-38(41)34-20-8-7-19-33(34)32-27-28-40-37-23-10-9-21-35(37)36-22-11-12-25-39(36)42(40)29-32;1-35(2)36(3,4)39-37(38-35)34-20-12-11-19-32(34)26-14-6-5-13-25(26)24-21-22-31-29-17-8-7-15-27(29)28-16-9-10-18-30(28)33(31)23-24;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-29H;5-23H,1-4H3;1-10H
InChIKeyBAUWNTCWALVVGA-UHFFFAOYSA-N
MW1385.92 g/mol
LogP24.30
Rot. Bonds10

About 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,2-dioxaborolane

2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,2-dioxaborolane (PubChem CID 157291124) has the molecular formula C96H70BClN6O2 and a molecular weight of 1385.92 g/mol. Its IUPAC name is 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,2-dioxaborolane
PubChem CID157291124
Molecular FormulaC96H70BClN6O2
Molecular Weight1385.92 g/mol
Exact Mass1384.53
IUPAC Name2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccccc2-c2ccccc2-c2ccc3c4ccccc4c4ccccc4c3c2)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C45H29N3.C36H31BO2.C15H10ClN3/c1-3-15-30(16-4-1)43-46-44(31-17-5-2-6-18-31)48-45(47-43)41-26-14-13-24-38(41)34-20-8-7-19-33(34)32-27-28-40-37-23-10-9-21-35(37)36-22-11-12-25-39(36)42(40)29-32;1-35(2)36(3,4)39-37(38-35)34-20-12-11-19-32(34)26-14-6-5-13-25(26)24-21-22-31-29-17-8-7-15-27(29)28-16-9-10-18-30(28)33(31)23-24;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-29H;5-23H,1-4H3;1-10H
InChIKeyBAUWNTCWALVVGA-UHFFFAOYSA-N
XLogP24.30
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001385.92
LogP ≤ 524.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,2-dioxaborolane with MolForge

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Related Compounds

2,4,6-Tris[4-(naphthalen-1-yl)phenyl]-1,3,5-triazine
CID 69407532
2,4-Bis(3-anthracen-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 101520682
2,4-Bis(3-anthracen-9-ylphenyl)-6-(4-anthracen-9-ylphenyl)-1,3,5-triazine
CID 101520684
2,4-Diphenyl-6-[3-(2-triphenylenyl)phenyl]-1,3,5-triazine
CID 118014055
2,4-Diphenyl-6-[4'-(2-triphenylenyl)[1,1'-biphenyl]-3-yl]-1,3,5-triazine
CID 118487435
2,4-Di(biphenyl-4-yl)-6-(3-(4,4,5,5-tetramethyl1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine
CID 123987767
2-Chloro-4,6-di(naphthalen-2-yl)-1,3,5-triazine
CID 59365884
2-[4-[2-[10-[2-[4-[4,6-Bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-6-methylphenyl]-1,2,3,4,5,6,7,8-octafluoroanthracen-9-yl]-3-methylphenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 88981031
2-[8-[4,6-Bis(trifluoromethyl)-1,3,5-triazin-2-yl]-3,6-dicyclohexylpyren-1-yl]-4,6-bis(trifluoromethyl)-1,3,5-triazine
CID 90293295
2,4-Diphenyl-6-(3'-(triphenylen-2-yl)-[1,1'-biphenyl]-3-yl)-1,3,5-triazine
CID 117951567
2-(4-Fluorophenyl)-4-[3-[7-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 118075082
2-Phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
CID 118075091

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,2-dioxaborolane?
The IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,2-dioxaborolane (CID 157291124) is 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,2-dioxaborolane is CC1(C)OB(c2ccccc2-c2ccccc2-c2ccc3c4ccccc4c4ccccc4c3c2)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,2-dioxaborolane?
The InChIKey is BAUWNTCWALVVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3.C36H31BO2.C15H10ClN3/c1-3-15-30(16-4-1)43-46-44(31-17-5-2-6-18-31)48-45(47-43)41-26-14-13-24-38(41)34-20-8-7-19-33(34)32-27-28-40-37-23-10-9-21-35(37)36-22-11-12-25-39(36)42(40)29-32;1-35(2)36(3,4)39-37(38-35)34-20-12-11-19-32(34)26-14-6-5-13-25(26)24-21-22-31-29-17-8-7-15-27(29)28-16-9-10-18-30(28)33(31)23-24;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-29H;5-23H,1-4H3;1-10H.
What are the key properties of 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,2-dioxaborolane?
2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,2-dioxaborolane has a molecular weight of 1385.92 g/mol, XLogP of 24.30, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 157291124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).