carbanide;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;dibenzofuran-3-ylboronic acid;2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine

C112H81B2Cl3N15O7- — CID 161245490

IUPACcarbanide;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;dibenzofuran-3-ylboronic acid;2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;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(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccccc23)n1.Clc1nc(Cl)nc(-c2ccccc2)n1.OB(O)c1ccc2c(c1)oc1ccccc12.[CH3-].c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)c3)n2)cc1
InChIInChI=1S/C42H26N6O.C27H26BN3O2.C21H12ClN3O.C12H9BO3.C9H5Cl2N3.CH3/c1-4-13-27(14-5-1)37-43-38(28-15-6-2-7-16-28)45-40(44-37)30-19-12-20-31(25-30)41-46-39(29-17-8-3-9-18-29)47-42(48-41)32-23-24-34-33-21-10-11-22-35(33)49-36(34)26-32;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;22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-16-15-8-4-5-9-17(15)26-18(16)12-14;14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8;10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;/h1-26H;5-18H,1-4H3;1-12H;1-7,14-15H;1-5H;1H3/q;;;;;-1
InChIKeyVAOUAKQSQXLJNL-UHFFFAOYSA-N
MW1876.96 g/mol
LogP25.45
Rot. Bonds14

About carbanide;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;dibenzofuran-3-ylboronic acid;2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine

carbanide;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;dibenzofuran-3-ylboronic acid;2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine (PubChem CID 161245490) has the molecular formula C112H81B2Cl3N15O7- and a molecular weight of 1876.96 g/mol. Its IUPAC name is carbanide;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;dibenzofuran-3-ylboronic acid;2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Namecarbanide;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;dibenzofuran-3-ylboronic acid;2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
PubChem CID161245490
Molecular FormulaC112H81B2Cl3N15O7-
Molecular Weight1876.96 g/mol
Exact Mass1874.57
IUPAC Namecarbanide;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;dibenzofuran-3-ylboronic acid;2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;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(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccccc23)n1.Clc1nc(Cl)nc(-c2ccccc2)n1.OB(O)c1ccc2c(c1)oc1ccccc12.[CH3-].c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)c3)n2)cc1
InChIInChI=1S/C42H26N6O.C27H26BN3O2.C21H12ClN3O.C12H9BO3.C9H5Cl2N3.CH3/c1-4-13-27(14-5-1)37-43-38(28-15-6-2-7-16-28)45-40(44-37)30-19-12-20-31(25-30)41-46-39(29-17-8-3-9-18-29)47-42(48-41)32-23-24-34-33-21-10-11-22-35(33)49-36(34)26-32;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;22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-16-15-8-4-5-9-17(15)26-18(16)12-14;14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8;10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;/h1-26H;5-18H,1-4H3;1-12H;1-7,14-15H;1-5H;1H3/q;;;;;-1
InChIKeyVAOUAKQSQXLJNL-UHFFFAOYSA-N
XLogP25.45
TPSA291.69 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001876.96
LogP ≤ 525.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze carbanide;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;dibenzofuran-3-ylboronic acid;2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;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

2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,5-triazine;4,4,5,5-tetramethyl-2-[3-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane
CID 158322938
2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,4-dichloro-6-phenyl-1,3,5-triazine;oxolane
CID 158308291
2-(8-chlorodibenzofuran-3-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine;methane
CID 162009781
2,4-diphenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009424
dibenzofuran-2-ylboronic acid;2,4-dichloro-6-(3-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 159291210
2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane
CID 142555495
2-bromodibenzofuran;2-dibenzofuran-3-yl-4-(8-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 158135500
2-chloro-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-diphenyldibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161330237
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
2-phenyl-4-(3-phenylphenyl)-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 140815451
7-bromo-2,4-dichlorodibenzofuran;2-chloro-4,6-diphenyl-1,3,5-triazine;dibenzofuran-4-ylboronic acid;2-(6,8-dichlorodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(6,8-dichlorodibenzofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[6,8-di(dibenzofuran-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159359562
2-methyl-4-phenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 176842902

Frequently Asked Questions

What is the IUPAC name of carbanide;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;dibenzofuran-3-ylboronic acid;2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;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 carbanide;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;dibenzofuran-3-ylboronic acid;2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine (CID 161245490) is carbanide;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;dibenzofuran-3-ylboronic acid;2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;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 carbanide;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;dibenzofuran-3-ylboronic acid;2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;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 carbanide;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;dibenzofuran-3-ylboronic acid;2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;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(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccccc23)n1.Clc1nc(Cl)nc(-c2ccccc2)n1.OB(O)c1ccc2c(c1)oc1ccccc12.[CH3-].c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)c3)n2)cc1.
What is the InChIKey of carbanide;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;dibenzofuran-3-ylboronic acid;2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is VAOUAKQSQXLJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N6O.C27H26BN3O2.C21H12ClN3O.C12H9BO3.C9H5Cl2N3.CH3/c1-4-13-27(14-5-1)37-43-38(28-15-6-2-7-16-28)45-40(44-37)30-19-12-20-31(25-30)41-46-39(29-17-8-3-9-18-29)47-42(48-41)32-23-24-34-33-21-10-11-22-35(33)49-36(34)26-32;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;22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-16-15-8-4-5-9-17(15)26-18(16)12-14;14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8;10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;/h1-26H;5-18H,1-4H3;1-12H;1-7,14-15H;1-5H;1H3/q;;;;;-1.
What are the key properties of carbanide;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;dibenzofuran-3-ylboronic acid;2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine?
carbanide;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;dibenzofuran-3-ylboronic acid;2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;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 1876.96 g/mol, XLogP of 25.45, 14 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;dibenzofuran-3-ylboronic acid;2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-dichloro-6-phenyl-1,3,5-triazine;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 161245490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).