1-bromo-3-methylbenzene;9-(3-bromophenyl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;5-bromo-3-phenyl-9H-fluorene;deuterium monohydride;2,4-diphenyl-6-[3-(6-phenyl-9H-fluoren-4-yl)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;methane

C139H108BBr3N10O2 — CID 157361048

About 1-bromo-3-methylbenzene;9-(3-bromophenyl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;5-bromo-3-phenyl-9H-fluorene;deuterium monohydride;2,4-diphenyl-6-[3-(6-phenyl-9H-fluoren-4-yl)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;methane

1-bromo-3-methylbenzene;9-(3-bromophenyl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;5-bromo-3-phenyl-9H-fluorene;deuterium monohydride;2,4-diphenyl-6-[3-(6-phenyl-9H-fluoren-4-yl)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;methane (PubChem CID 157361048) has the molecular formula C139H108BBr3N10O2 and a molecular weight of 2201.99 g/mol. Its IUPAC name is 1-bromo-3-methylbenzene;9-(3-bromophenyl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;5-bromo-3-phenyl-9H-fluorene;deuterium monohydride;2,4-diphenyl-6-[3-(6-phenyl-9H-fluoren-4-yl)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;methane.

Molecular Properties

• Compound Name: 1-bromo-3-methylbenzene;9-(3-bromophenyl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;5-bromo-3-phenyl-9H-fluorene;deuterium monohydride;2,4-diphenyl-6-[3-(6-phenyl-9H-fluoren-4-yl)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;methane
• PubChem CID: 157361048
• Molecular Formula: C139H108BBr3N10O2
• Molecular Weight: 2201.99 g/mol
• Exact Mass: 2197.64
• IUPAC Name: 1-bromo-3-methylbenzene;9-(3-bromophenyl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;5-bromo-3-phenyl-9H-fluorene;deuterium monohydride;2,4-diphenyl-6-[3-(6-phenyl-9H-fluoren-4-yl)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;methane
• SMILES: Brc1cccc(-n2c3ccc(-c4ccccc4)cc3c3c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cccc32)c1.Brc1cccc2c1-c1cc(-c3ccccc3)ccc1C2.C.CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.Cc1cccc(Br)c1.[H][2H].c1ccc(-c2ccc3c(c2)-c2c(cccc2-c2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c2)C3)cc1
• InChI: InChI=1S/C45H29BrN4.C40H27N3.C27H26BN3O2.C19H13Br.C7H7Br.CH4.H2/c46-36-21-11-22-37(29-36)50-40-26-25-33(30-13-4-1-5-14-30)28-39(40)42-38(23-12-24-41(42)50)34-19-10-20-35(27-34)45-48-43(31-15-6-2-7-16-31)47-44(49-45)32-17-8-3-9-18-32;1-4-12-27(13-5-1)30-22-23-32-24-33-19-11-21-35(37(33)36(32)26-30)31-18-10-20-34(25-31)40-42-38(28-14-6-2-7-15-28)41-39(43-40)29-16-8-3-9-17-29;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;20-18-8-4-7-16-11-15-10-9-14(12-17(15)19(16)18)13-5-2-1-3-6-13;1-6-3-2-4-7(8)5-6;;/h1-29H;1-23,25-26H,24H2;5-18H,1-4H3;1-10,12H,11H2;2-5H,1H3;1H4;1H/i;;;;;;1+1
• InChIKey: BIQIDCOLQXYGAM-KTTJZPQESA-N
• XLogP: 36.34
• TPSA: 139.40 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2201.99
LogP ≤ 5	36.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methylbenzene;9-(3-bromophenyl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;5-bromo-3-phenyl-9H-fluorene;deuterium monohydride;2,4-diphenyl-6-[3-(6-phenyl-9H-fluoren-4-yl)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;methane?

The IUPAC name of 1-bromo-3-methylbenzene;9-(3-bromophenyl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;5-bromo-3-phenyl-9H-fluorene;deuterium monohydride;2,4-diphenyl-6-[3-(6-phenyl-9H-fluoren-4-yl)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;methane (CID 157361048) is 1-bromo-3-methylbenzene;9-(3-bromophenyl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;5-bromo-3-phenyl-9H-fluorene;deuterium monohydride;2,4-diphenyl-6-[3-(6-phenyl-9H-fluoren-4-yl)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;methane.

What is the SMILES notation for 1-bromo-3-methylbenzene;9-(3-bromophenyl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;5-bromo-3-phenyl-9H-fluorene;deuterium monohydride;2,4-diphenyl-6-[3-(6-phenyl-9H-fluoren-4-yl)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;methane?

The canonical SMILES for 1-bromo-3-methylbenzene;9-(3-bromophenyl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;5-bromo-3-phenyl-9H-fluorene;deuterium monohydride;2,4-diphenyl-6-[3-(6-phenyl-9H-fluoren-4-yl)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;methane is Brc1cccc(-n2c3ccc(-c4ccccc4)cc3c3c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cccc32)c1.Brc1cccc2c1-c1cc(-c3ccccc3)ccc1C2.C.CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)OC1(C)C.Cc1cccc(Br)c1.[H][2H].c1ccc(-c2ccc3c(c2)-c2c(cccc2-c2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c2)C3)cc1.

What is the InChIKey of 1-bromo-3-methylbenzene;9-(3-bromophenyl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;5-bromo-3-phenyl-9H-fluorene;deuterium monohydride;2,4-diphenyl-6-[3-(6-phenyl-9H-fluoren-4-yl)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;methane?

The InChIKey is BIQIDCOLQXYGAM-KTTJZPQESA-N. The full InChI is InChI=1S/C45H29BrN4.C40H27N3.C27H26BN3O2.C19H13Br.C7H7Br.CH4.H2/c46-36-21-11-22-37(29-36)50-40-26-25-33(30-13-4-1-5-14-30)28-39(40)42-38(23-12-24-41(42)50)34-19-10-20-35(27-34)45-48-43(31-15-6-2-7-16-31)47-44(49-45)32-17-8-3-9-18-32;1-4-12-27(13-5-1)30-22-23-32-24-33-19-11-21-35(37(33)36(32)26-30)31-18-10-20-34(25-31)40-42-38(28-14-6-2-7-15-28)41-39(43-40)29-16-8-3-9-17-29;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;20-18-8-4-7-16-11-15-10-9-14(12-17(15)19(16)18)13-5-2-1-3-6-13;1-6-3-2-4-7(8)5-6;;/h1-29H;1-23,25-26H,24H2;5-18H,1-4H3;1-10,12H,11H2;2-5H,1H3;1H4;1H/i;;;;;;1+1.

What are the key properties of 1-bromo-3-methylbenzene;9-(3-bromophenyl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;5-bromo-3-phenyl-9H-fluorene;deuterium monohydride;2,4-diphenyl-6-[3-(6-phenyl-9H-fluoren-4-yl)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;methane?

1-bromo-3-methylbenzene;9-(3-bromophenyl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;5-bromo-3-phenyl-9H-fluorene;deuterium monohydride;2,4-diphenyl-6-[3-(6-phenyl-9H-fluoren-4-yl)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;methane has a molecular weight of 2201.99 g/mol, XLogP of 36.34, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-3-methylbenzene;9-(3-bromophenyl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;5-bromo-3-phenyl-9H-fluorene;deuterium monohydride;2,4-diphenyl-6-[3-(6-phenyl-9H-fluoren-4-yl)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;methane is sourced from PubChem (CID 157361048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).