1-bromo-3-iodobenzene;3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine;2-chloro-4,6-diphenyl-1,3,5-triazine;7,14-dimethyl-6,13-diphenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine

C147H115B2Br2ClIN9O4 — CID 157083273

About 1-bromo-3-iodobenzene;3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine;2-chloro-4,6-diphenyl-1,3,5-triazine;7,14-dimethyl-6,13-diphenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine

1-bromo-3-iodobenzene;3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine;2-chloro-4,6-diphenyl-1,3,5-triazine;7,14-dimethyl-6,13-diphenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine (PubChem CID 157083273) has the molecular formula C147H115B2Br2ClIN9O4 and a molecular weight of 2415.38 g/mol. Its IUPAC name is 1-bromo-3-iodobenzene;3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine;2-chloro-4,6-diphenyl-1,3,5-triazine;7,14-dimethyl-6,13-diphenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine.

Molecular Properties

• Compound Name: 1-bromo-3-iodobenzene;3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine;2-chloro-4,6-diphenyl-1,3,5-triazine;7,14-dimethyl-6,13-diphenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine
• PubChem CID: 157083273
• Molecular Formula: C147H115B2Br2ClIN9O4
• Molecular Weight: 2415.38 g/mol
• Exact Mass: 2411.64
• IUPAC Name: 1-bromo-3-iodobenzene;3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine;2-chloro-4,6-diphenyl-1,3,5-triazine;7,14-dimethyl-6,13-diphenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine
• SMILES: Brc1cccc(I)c1.Cc1c2c(-c3ccccc3)nc3cc(-c4cccc(B5OC(C)(C)C(C)(C)O5)c4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.Cc1c2c(-c3ccccc3)nc3cc(-c4cccc(Br)c4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.Cc1c2c(-c3ccccc3)nc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C46H39BN2O2.C40H35BN2O2.C40H27BrN2.C15H10ClN3.C6H4BrI/c1-28-39-35-22-13-14-23-37(35)48-43(30-16-9-7-10-17-30)41(39)29(2)40-36-25-24-33(27-38(36)49-44(42(28)40)31-18-11-8-12-19-31)32-20-15-21-34(26-32)47-50-45(3,4)46(5,6)51-47;1-24-33-29-19-13-14-20-31(29)42-37(26-15-9-7-10-16-26)35(33)25(2)34-30-22-21-28(41-44-39(3,4)40(5,6)45-41)23-32(30)43-38(36(24)34)27-17-11-8-12-18-27;1-24-35-31-18-9-10-19-33(31)42-39(26-12-5-3-6-13-26)37(35)25(2)36-32-21-20-29(28-16-11-17-30(41)22-28)23-34(32)43-40(38(24)36)27-14-7-4-8-15-27;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;7-5-2-1-3-6(8)4-5/h7-27H,1-6H3;7-23H,1-6H3;3-23H,1-2H3;1-10H;1-4H
• InChIKey: ADUKUCRTFDVINF-UHFFFAOYSA-N
• XLogP: 38.73
• TPSA: 152.93 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2415.38
LogP ≤ 5	38.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-iodobenzene;3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine;2-chloro-4,6-diphenyl-1,3,5-triazine;7,14-dimethyl-6,13-diphenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine?

The IUPAC name of 1-bromo-3-iodobenzene;3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine;2-chloro-4,6-diphenyl-1,3,5-triazine;7,14-dimethyl-6,13-diphenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine (CID 157083273) is 1-bromo-3-iodobenzene;3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine;2-chloro-4,6-diphenyl-1,3,5-triazine;7,14-dimethyl-6,13-diphenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine.

What is the SMILES notation for 1-bromo-3-iodobenzene;3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine;2-chloro-4,6-diphenyl-1,3,5-triazine;7,14-dimethyl-6,13-diphenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine?

The canonical SMILES for 1-bromo-3-iodobenzene;3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine;2-chloro-4,6-diphenyl-1,3,5-triazine;7,14-dimethyl-6,13-diphenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine is Brc1cccc(I)c1.Cc1c2c(-c3ccccc3)nc3cc(-c4cccc(B5OC(C)(C)C(C)(C)O5)c4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.Cc1c2c(-c3ccccc3)nc3cc(-c4cccc(Br)c4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.Cc1c2c(-c3ccccc3)nc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of 1-bromo-3-iodobenzene;3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine;2-chloro-4,6-diphenyl-1,3,5-triazine;7,14-dimethyl-6,13-diphenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine?

The InChIKey is ADUKUCRTFDVINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39BN2O2.C40H35BN2O2.C40H27BrN2.C15H10ClN3.C6H4BrI/c1-28-39-35-22-13-14-23-37(35)48-43(30-16-9-7-10-17-30)41(39)29(2)40-36-25-24-33(27-38(36)49-44(42(28)40)31-18-11-8-12-19-31)32-20-15-21-34(26-32)47-50-45(3,4)46(5,6)51-47;1-24-33-29-19-13-14-20-31(29)42-37(26-15-9-7-10-16-26)35(33)25(2)34-30-22-21-28(41-44-39(3,4)40(5,6)45-41)23-32(30)43-38(36(24)34)27-17-11-8-12-18-27;1-24-35-31-18-9-10-19-33(31)42-39(26-12-5-3-6-13-26)37(35)25(2)36-32-21-20-29(28-16-11-17-30(41)22-28)23-34(32)43-40(38(24)36)27-14-7-4-8-15-27;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;7-5-2-1-3-6(8)4-5/h7-27H,1-6H3;7-23H,1-6H3;3-23H,1-2H3;1-10H;1-4H.

What are the key properties of 1-bromo-3-iodobenzene;3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine;2-chloro-4,6-diphenyl-1,3,5-triazine;7,14-dimethyl-6,13-diphenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine?

1-bromo-3-iodobenzene;3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine;2-chloro-4,6-diphenyl-1,3,5-triazine;7,14-dimethyl-6,13-diphenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine has a molecular weight of 2415.38 g/mol, XLogP of 38.73, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-3-iodobenzene;3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine;2-chloro-4,6-diphenyl-1,3,5-triazine;7,14-dimethyl-6,13-diphenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolino[4,3-j]phenanthridine is sourced from PubChem (CID 157083273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).