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

C64H48BCl3N10O2 — CID 159209828

IUPAC2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline;2,4-dichloroquinazoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
SMILESCC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.Clc1nc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2ccccc2n1.Clc1nc(Cl)c2ccccc2n1
InChIInChI=1S/C29H18ClN5.C27H26BN3O2.C8H4Cl2N2/c30-29-31-24-17-8-7-16-23(24)25(32-29)21-14-9-15-22(18-21)28-34-26(19-10-3-1-4-11-19)33-27(35-28)20-12-5-2-6-13-20;1-26(2)27(3,4)33-28(32-26)22-17-11-16-21(18-22)25-30-23(19-12-7-5-8-13-19)29-24(31-25)20-14-9-6-10-15-20;9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-18H;5-18H,1-4H3;1-4H
InChIKeyKQIVISBHERCOSR-UHFFFAOYSA-N
MW1106.33 g/mol
LogP15.24
Rot. Bonds8

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

2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline;2,4-dichloroquinazoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine (PubChem CID 159209828) has the molecular formula C64H48BCl3N10O2 and a molecular weight of 1106.33 g/mol. Its IUPAC name is 2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline;2,4-dichloroquinazoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline;2,4-dichloroquinazoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
PubChem CID159209828
Molecular FormulaC64H48BCl3N10O2
Molecular Weight1106.33 g/mol
Exact Mass1104.31
IUPAC Name2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline;2,4-dichloroquinazoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
SMILESCC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.Clc1nc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2ccccc2n1.Clc1nc(Cl)c2ccccc2n1
InChIInChI=1S/C29H18ClN5.C27H26BN3O2.C8H4Cl2N2/c30-29-31-24-17-8-7-16-23(24)25(32-29)21-14-9-15-22(18-21)28-34-26(19-10-3-1-4-11-19)33-27(35-28)20-12-5-2-6-13-20;1-26(2)27(3,4)33-28(32-26)22-17-11-16-21(18-22)25-30-23(19-12-7-5-8-13-19)29-24(31-25)20-14-9-6-10-15-20;9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-18H;5-18H,1-4H3;1-4H
InChIKeyKQIVISBHERCOSR-UHFFFAOYSA-N
XLogP15.24
TPSA147.36 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001106.33
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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

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Related Compounds

4-Chloro-2,6-diphenylpyrimidine;4-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-2,6-diphenylpyrimidine;2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161098357
2-Chloro-4,6-diphenylpyrimidine;4-chloro-2,6-diphenylpyrimidine;2-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine;bis(2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine);2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161851931
2-(4-Tert-butylphenyl)-4-[4-[5-[4-[4-(4-tert-butylphenyl)-6-[5-(4,6-diphenylpyrimidin-2-yl)-2-fluorophenyl]-1,3,5-triazin-2-yl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-6-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 173785210
4-Phenyl-2-[2,4,5-tris(4-phenylquinazolin-2-yl)phenyl]quinazoline
CID 57615260
2-Phenyl-4-[2,4,5-tris(2-phenylquinazolin-4-yl)phenyl]quinazoline
CID 57615291
4-Methyl-2-phenyl-7-[4,4,5,5-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)-1,3,2-dioxaborolan-2-yl]quinazoline
CID 67079035
4-Chloro-2-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]quinazoline
CID 89419490
2-[3-[2,6-Bis(3-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]quinoline
CID 118582490
2-Phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinazoline
CID 121311659
2-Phenyl-4-[4-[3-[3-[4-phenyl-6-[3-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]phenyl]quinazoline
CID 121311724
2-[3-[3-[3-(4,6-Diphenylpyrimidin-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 123552382
3-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-5-[4-[3-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]benzo[h][1,6]naphthyridine
CID 130393659

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline;2,4-dichloroquinazoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline;2,4-dichloroquinazoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine (CID 159209828) is 2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline;2,4-dichloroquinazoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline;2,4-dichloroquinazoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline;2,4-dichloroquinazoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine is CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.Clc1nc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2ccccc2n1.Clc1nc(Cl)c2ccccc2n1.
What is the InChIKey of 2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline;2,4-dichloroquinazoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is KQIVISBHERCOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18ClN5.C27H26BN3O2.C8H4Cl2N2/c30-29-31-24-17-8-7-16-23(24)25(32-29)21-14-9-15-22(18-21)28-34-26(19-10-3-1-4-11-19)33-27(35-28)20-12-5-2-6-13-20;1-26(2)27(3,4)33-28(32-26)22-17-11-16-21(18-22)25-30-23(19-12-7-5-8-13-19)29-24(31-25)20-14-9-6-10-15-20;9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-18H;5-18H,1-4H3;1-4H.
What are the key properties of 2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline;2,4-dichloroquinazoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine?
2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline;2,4-dichloroquinazoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 1106.33 g/mol, XLogP of 15.24, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazoline;2,4-dichloroquinazoline;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 159209828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).