2-[4-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C102H78BClN6O4 — CID 160942751

IUPAC2-[4-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)ccc2-c2cc3c(cc21)oc1ccccc13.CC1(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2cc3c(cc21)oc1ccccc13.Clc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1
InChIInChI=1S/C48H33N3O.C27H27BO3.C27H18ClN3/c1-48(2)41-27-36(24-25-37(41)39-28-40-38-18-9-10-19-43(38)52-44(40)29-42(39)48)35-17-11-16-34(26-35)30-20-22-33(23-21-30)47-50-45(31-12-5-3-6-13-31)49-46(51-47)32-14-7-4-8-15-32;1-25(2)21-13-16(28-30-26(3,4)27(5,6)31-28)11-12-17(21)19-14-20-18-9-7-8-10-23(18)29-24(20)15-22(19)25;28-24-13-7-12-23(18-24)19-14-16-22(17-15-19)27-30-25(20-8-3-1-4-9-20)29-26(31-27)21-10-5-2-6-11-21/h3-29H,1-2H3;7-15H,1-6H3;1-18H
InChIKeySUSITCDAEUHCJO-UHFFFAOYSA-N
MW1498.05 g/mol
LogP25.80
Rot. Bonds10

About 2-[4-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[4-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 160942751) has the molecular formula C102H78BClN6O4 and a molecular weight of 1498.05 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID160942751
Molecular FormulaC102H78BClN6O4
Molecular Weight1498.05 g/mol
Exact Mass1496.59
IUPAC Name2-[4-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)ccc2-c2cc3c(cc21)oc1ccccc13.CC1(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2cc3c(cc21)oc1ccccc13.Clc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1
InChIInChI=1S/C48H33N3O.C27H27BO3.C27H18ClN3/c1-48(2)41-27-36(24-25-37(41)39-28-40-38-18-9-10-19-43(38)52-44(40)29-42(39)48)35-17-11-16-34(26-35)30-20-22-33(23-21-30)47-50-45(31-12-5-3-6-13-31)49-46(51-47)32-14-7-4-8-15-32;1-25(2)21-13-16(28-30-26(3,4)27(5,6)31-28)11-12-17(21)19-14-20-18-9-7-8-10-23(18)29-24(20)15-22(19)25;28-24-13-7-12-23(18-24)19-14-16-22(17-15-19)27-30-25(20-8-3-1-4-9-20)29-26(31-27)21-10-5-2-6-11-21/h3-29H,1-2H3;7-15H,1-6H3;1-18H
InChIKeySUSITCDAEUHCJO-UHFFFAOYSA-N
XLogP25.80
TPSA122.08 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001498.05
LogP ≤ 525.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[4-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-[3-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 161487804
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218012
2-[3-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602744
2-dibenzofuran-2-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602383
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 130232863
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-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602605
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218029
2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1,3,2-dioxaborolane
CID 161055745
4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine
CID 154602384
2-[4-(3-chlorophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyrimidine;4,4,5,5-tetramethyl-2-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1,3,2-dioxaborolane
CID 158375785
2-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-7-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162170066

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 160942751) is 2-[4-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)c2cc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3)ccc2-c2cc3c(cc21)oc1ccccc13.CC1(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2cc3c(cc21)oc1ccccc13.Clc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1.
What is the InChIKey of 2-[4-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is SUSITCDAEUHCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O.C27H27BO3.C27H18ClN3/c1-48(2)41-27-36(24-25-37(41)39-28-40-38-18-9-10-19-43(38)52-44(40)29-42(39)48)35-17-11-16-34(26-35)30-20-22-33(23-21-30)47-50-45(31-12-5-3-6-13-31)49-46(51-47)32-14-7-4-8-15-32;1-25(2)21-13-16(28-30-26(3,4)27(5,6)31-28)11-12-17(21)19-14-20-18-9-7-8-10-23(18)29-24(20)15-22(19)25;28-24-13-7-12-23(18-24)19-14-16-22(17-15-19)27-30-25(20-8-3-1-4-9-20)29-26(31-27)21-10-5-2-6-11-21/h3-29H,1-2H3;7-15H,1-6H3;1-18H.
What are the key properties of 2-[4-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[4-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1498.05 g/mol, XLogP of 25.80, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 160942751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).