9-[2-[3-(3-bromophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;1,3-dibromobenzene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole

C112H102BBr3N8O2 — CID 160934355

IUPAC9-[2-[3-(3-bromophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;1,3-dibromobenzene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
SMILESBrc1cccc(Br)c1.Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc(-c2cccc(Br)c2)c1.Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C53H53BN4O2.C53H45BrN4.C6H4Br2/c1-30-32(3)36(7)47-45(34(30)5)46-35(6)31(2)33(4)37(8)48(46)58(47)44-27-26-41(29-43(44)40-24-19-25-42(28-40)54-59-52(9,10)53(11,12)60-54)51-56-49(38-20-15-13-16-21-38)55-50(57-51)39-22-17-14-18-23-39;1-30-32(3)36(7)49-47(34(30)5)48-35(6)31(2)33(4)37(8)50(48)58(49)46-26-25-43(29-45(46)42-23-15-21-40(27-42)41-22-16-24-44(54)28-41)53-56-51(38-17-11-9-12-18-38)55-52(57-53)39-19-13-10-14-20-39;7-5-2-1-3-6(8)4-5/h13-29H,1-12H3;9-29H,1-8H3;1-4H
InChIKeySTRJFXPAIUCHKW-UHFFFAOYSA-N
MW1842.63 g/mol
LogP30.15
Rot. Bonds12

About 9-[2-[3-(3-bromophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;1,3-dibromobenzene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole

9-[2-[3-(3-bromophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;1,3-dibromobenzene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole (PubChem CID 160934355) has the molecular formula C112H102BBr3N8O2 and a molecular weight of 1842.63 g/mol. Its IUPAC name is 9-[2-[3-(3-bromophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;1,3-dibromobenzene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole.

Molecular Properties

Compound Name9-[2-[3-(3-bromophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;1,3-dibromobenzene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
PubChem CID160934355
Molecular FormulaC112H102BBr3N8O2
Molecular Weight1842.63 g/mol
Exact Mass1838.58
IUPAC Name9-[2-[3-(3-bromophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;1,3-dibromobenzene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
SMILESBrc1cccc(Br)c1.Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc(-c2cccc(Br)c2)c1.Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C53H53BN4O2.C53H45BrN4.C6H4Br2/c1-30-32(3)36(7)47-45(34(30)5)46-35(6)31(2)33(4)37(8)48(46)58(47)44-27-26-41(29-43(44)40-24-19-25-42(28-40)54-59-52(9,10)53(11,12)60-54)51-56-49(38-20-15-13-16-21-38)55-50(57-51)39-22-17-14-18-23-39;1-30-32(3)36(7)49-47(34(30)5)48-35(6)31(2)33(4)37(8)50(48)58(49)46-26-25-43(29-45(46)42-23-15-21-40(27-42)41-22-16-24-44(54)28-41)53-56-51(38-17-11-9-12-18-38)55-52(57-53)39-19-13-10-14-20-39;7-5-2-1-3-6(8)4-5/h13-29H,1-12H3;9-29H,1-8H3;1-4H
InChIKeySTRJFXPAIUCHKW-UHFFFAOYSA-N
XLogP30.15
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001842.63
LogP ≤ 530.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 9-[2-[3-(3-bromophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;1,3-dibromobenzene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole with MolForge

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Related Compounds

9-[4-[3-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 174004942
9-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 58340544
9-[4-[4-[4,6-Bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-3-methylphenyl]carbazole
CID 58960701
10-(4,6-Diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10,12-dihydro-10-azaindeno[2,1-b]fluorene
CID 66797982
9-[3-[4-[4,6-Bis[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylphenyl]-1,3,5-triazin-2-yl]-2-methylphenyl]phenyl]-3,6-diphenylcarbazole
CID 88560992
9-[4-[4,6-Bis[4-(3-bromocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3,6-ditert-butylcarbazole
CID 88592452
2,7-Bis[4-(3,6-dimethylcarbazol-9-yl)-2-methylphenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-dimethylphenyl]carbazole
CID 88878701
9,23-Dibromo-5,19-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5,19-diazaheptacyclo[15.11.0.02,14.04,12.06,11.018,26.020,25]octacosa-1(17),2,4(12),6(11),7,9,13,18(26),20(25),21,23,27-dodecaene
CID 89673846
2-Bromo-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90226940
2-Bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90226943
5-[4,6-Bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole
CID 90226947
5-[4,6-Bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole
CID 90226949

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-(3-bromophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;1,3-dibromobenzene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?
The IUPAC name of 9-[2-[3-(3-bromophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;1,3-dibromobenzene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole (CID 160934355) is 9-[2-[3-(3-bromophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;1,3-dibromobenzene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole.
What is the SMILES notation for 9-[2-[3-(3-bromophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;1,3-dibromobenzene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?
The canonical SMILES for 9-[2-[3-(3-bromophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;1,3-dibromobenzene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole is Brc1cccc(Br)c1.Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc(-c2cccc(Br)c2)c1.Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc(B2OC(C)(C)C(C)(C)O2)c1.
What is the InChIKey of 9-[2-[3-(3-bromophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;1,3-dibromobenzene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?
The InChIKey is STRJFXPAIUCHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H53BN4O2.C53H45BrN4.C6H4Br2/c1-30-32(3)36(7)47-45(34(30)5)46-35(6)31(2)33(4)37(8)48(46)58(47)44-27-26-41(29-43(44)40-24-19-25-42(28-40)54-59-52(9,10)53(11,12)60-54)51-56-49(38-20-15-13-16-21-38)55-50(57-51)39-22-17-14-18-23-39;1-30-32(3)36(7)49-47(34(30)5)48-35(6)31(2)33(4)37(8)50(48)58(49)46-26-25-43(29-45(46)42-23-15-21-40(27-42)41-22-16-24-44(54)28-41)53-56-51(38-17-11-9-12-18-38)55-52(57-53)39-19-13-10-14-20-39;7-5-2-1-3-6(8)4-5/h13-29H,1-12H3;9-29H,1-8H3;1-4H.
What are the key properties of 9-[2-[3-(3-bromophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;1,3-dibromobenzene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?
9-[2-[3-(3-bromophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;1,3-dibromobenzene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole has a molecular weight of 1842.63 g/mol, XLogP of 30.15, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-(3-bromophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;1,3-dibromobenzene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole is sourced from PubChem (CID 160934355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).