2-chloro-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane

C112H86BClN6O2S2 — CID 167705819

About 2-chloro-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane

2-chloro-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane (PubChem CID 167705819) has the molecular formula C112H86BClN6O2S2 and a molecular weight of 1658.36 g/mol. Its IUPAC name is 2-chloro-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane.

Molecular Properties

• Compound Name: 2-chloro-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane
• PubChem CID: 167705819
• Molecular Formula: C112H86BClN6O2S2
• Molecular Weight: 1658.36 g/mol
• Exact Mass: 1656.60
• IUPAC Name: 2-chloro-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane
• SMILES: C.C.CC1(C)OB(c2ccc(-c3cccc4c3sc3ccccc34)cc2)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)n1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1
• InChI: InChI=1S/C52H33N3S.C34H22ClN3.C24H23BO2S.2CH4/c1-4-16-35(17-5-1)49-53-50(36-32-30-34(31-33-36)39-24-14-25-41-40-22-11-13-29-46(40)56-48(39)41)55-51(54-49)43-26-15-28-45-47(43)42-23-10-12-27-44(42)52(45,37-18-6-2-7-19-37)38-20-8-3-9-21-38;35-33-37-31(23-13-4-1-5-14-23)36-32(38-33)27-20-12-22-29-30(27)26-19-10-11-21-28(26)34(29,24-15-6-2-7-16-24)25-17-8-3-9-18-25;1-23(2)24(3,4)27-25(26-23)17-14-12-16(13-15-17)18-9-7-10-20-19-8-5-6-11-21(19)28-22(18)20;;/h1-33H;1-22H;5-15H,1-4H3;2*1H4
• InChIKey: ZBXMXXXLEDDVRO-UHFFFAOYSA-N
• XLogP: 28.79
• TPSA: 95.80 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1658.36
LogP ≤ 5	28.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane?

The IUPAC name of 2-chloro-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane (CID 167705819) is 2-chloro-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane.

What is the SMILES notation for 2-chloro-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane?

The canonical SMILES for 2-chloro-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane is C.C.CC1(C)OB(c2ccc(-c3cccc4c3sc3ccccc34)cc2)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccccc2)n1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.

What is the InChIKey of 2-chloro-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane?

The InChIKey is ZBXMXXXLEDDVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3S.C34H22ClN3.C24H23BO2S.2CH4/c1-4-16-35(17-5-1)49-53-50(36-32-30-34(31-33-36)39-24-14-25-41-40-22-11-13-29-46(40)56-48(39)41)55-51(54-49)43-26-15-28-45-47(43)42-23-10-12-27-44(42)52(45,37-18-6-2-7-19-37)38-20-8-3-9-21-38;35-33-37-31(23-13-4-1-5-14-23)36-32(38-33)27-20-12-22-29-30(27)26-19-10-11-21-28(26)34(29,24-15-6-2-7-16-24)25-17-8-3-9-18-25;1-23(2)24(3,4)27-25(26-23)17-14-12-16(13-15-17)18-9-7-10-20-19-8-5-6-11-21(19)28-22(18)20;;/h1-33H;1-22H;5-15H,1-4H3;2*1H4.

What are the key properties of 2-chloro-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane?

2-chloro-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane has a molecular weight of 1658.36 g/mol, XLogP of 28.79, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane is sourced from PubChem (CID 167705819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).