2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane

C87H82B2ClN9O4 — CID 157097958

IUPAC2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane
SMILESCC(C)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC(C)(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C45H34N6.C27H38B2O4.C15H10ClN3/c1-45(2,37-27-23-35(24-28-37)43-48-39(31-15-7-3-8-16-31)46-40(49-43)32-17-9-4-10-18-32)38-29-25-36(26-30-38)44-50-41(33-19-11-5-12-20-33)47-42(51-44)34-21-13-6-14-22-34;1-23(2,19-11-15-21(16-12-19)28-30-24(3,4)25(5,6)31-28)20-13-17-22(18-14-20)29-32-26(7,8)27(9,10)33-29;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h3-30H,1-2H3;11-18H,1-10H3;1-10H
InChIKeyAFKRZIIBBWFTKM-UHFFFAOYSA-N
MW1374.75 g/mol
LogP18.85
Rot. Bonds14

About 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane

2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane (PubChem CID 157097958) has the molecular formula C87H82B2ClN9O4 and a molecular weight of 1374.75 g/mol. Its IUPAC name is 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane
PubChem CID157097958
Molecular FormulaC87H82B2ClN9O4
Molecular Weight1374.75 g/mol
Exact Mass1373.64
IUPAC Name2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane
SMILESCC(C)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC(C)(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C45H34N6.C27H38B2O4.C15H10ClN3/c1-45(2,37-27-23-35(24-28-37)43-48-39(31-15-7-3-8-16-31)46-40(49-43)32-17-9-4-10-18-32)38-29-25-36(26-30-38)44-50-41(33-19-11-5-12-20-33)47-42(51-44)34-21-13-6-14-22-34;1-23(2,19-11-15-21(16-12-19)28-30-24(3,4)25(5,6)31-28)20-13-17-22(18-14-20)29-32-26(7,8)27(9,10)33-29;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h3-30H,1-2H3;11-18H,1-10H3;1-10H
InChIKeyAFKRZIIBBWFTKM-UHFFFAOYSA-N
XLogP18.85
TPSA152.93 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001374.75
LogP ≤ 518.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane with MolForge

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Related Compounds

2,4-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;4,6-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 160563763
2-phenyl-4-(4-phenylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 139034816
2-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine
CID 158198185
2-chloro-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine
CID 171440348
2-phenyl-4,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 59188592
2-phenanthren-9-yl-4-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 140796996
2,4-diphenyl-6-[4-[2-[4-(4-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine
CID 121315550
4-phenyl-6-(3-phenylphenyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 140797020
2-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 161003612
2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2,4-dichloro-6-pyridin-3-yl-1,3,5-triazine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-benzoxazole
CID 159953127
3-[4-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazin-2-yl]isoquinoline
CID 140797039
9,10-dibromophenanthrene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[4-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160800923

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane?
The IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane (CID 157097958) is 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane is CC(C)(c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.CC(C)(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane?
The InChIKey is AFKRZIIBBWFTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N6.C27H38B2O4.C15H10ClN3/c1-45(2,37-27-23-35(24-28-37)43-48-39(31-15-7-3-8-16-31)46-40(49-43)32-17-9-4-10-18-32)38-29-25-36(26-30-38)44-50-41(33-19-11-5-12-20-33)47-42(51-44)34-21-13-6-14-22-34;1-23(2,19-11-15-21(16-12-19)28-30-24(3,4)25(5,6)31-28)20-13-17-22(18-14-20)29-32-26(7,8)27(9,10)33-29;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h3-30H,1-2H3;11-18H,1-10H3;1-10H.
What are the key properties of 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane?
2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane has a molecular weight of 1374.75 g/mol, XLogP of 18.85, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]phenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 157097958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).