2-[3-(4-bromophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine

C106H76BBrN8O2 — CID 157253710

IUPAC2-[3-(4-bromophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine
SMILESBrc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2)cc1.CC1(C)OB(c2nc3ccccc3c3cc4ccccc4cc23)OC1(C)C.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6nc7ccccc7c7cc8ccccc8cc67)cc5)c4)n3)cc2)cc1
InChIInChI=1S/C50H32N4.C33H22BrN3.C23H22BNO2/c1-3-12-33(13-4-1)34-24-28-38(29-25-34)49-52-48(37-14-5-2-6-15-37)53-50(54-49)42-19-11-18-39(30-42)35-22-26-36(27-23-35)47-45-32-41-17-8-7-16-40(41)31-44(45)43-20-9-10-21-46(43)51-47;34-30-20-18-25(19-21-30)28-12-7-13-29(22-28)33-36-31(26-10-5-2-6-11-26)35-32(37-33)27-16-14-24(15-17-27)23-8-3-1-4-9-23;1-22(2)23(3,4)27-24(26-22)21-19-14-16-10-6-5-9-15(16)13-18(19)17-11-7-8-12-20(17)25-21/h1-32H;1-22H;5-14H,1-4H3
InChIKeyAWQCAOLBVAPULD-UHFFFAOYSA-N
MW1584.54 g/mol
LogP26.54
Rot. Bonds12

About 2-[3-(4-bromophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine

2-[3-(4-bromophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine (PubChem CID 157253710) has the molecular formula C106H76BBrN8O2 and a molecular weight of 1584.54 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine
PubChem CID157253710
Molecular FormulaC106H76BBrN8O2
Molecular Weight1584.54 g/mol
Exact Mass1582.54
IUPAC Name2-[3-(4-bromophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine
SMILESBrc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2)cc1.CC1(C)OB(c2nc3ccccc3c3cc4ccccc4cc23)OC1(C)C.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6nc7ccccc7c7cc8ccccc8cc67)cc5)c4)n3)cc2)cc1
InChIInChI=1S/C50H32N4.C33H22BrN3.C23H22BNO2/c1-3-12-33(13-4-1)34-24-28-38(29-25-34)49-52-48(37-14-5-2-6-15-37)53-50(54-49)42-19-11-18-39(30-42)35-22-26-36(27-23-35)47-45-32-41-17-8-7-16-40(41)31-44(45)43-20-9-10-21-46(43)51-47;34-30-20-18-25(19-21-30)28-12-7-13-29(22-28)33-36-31(26-10-5-2-6-11-26)35-32(37-33)27-16-14-24(15-17-27)23-8-3-1-4-9-23;1-22(2)23(3,4)27-24(26-22)21-19-14-16-10-6-5-9-15(16)13-18(19)17-11-7-8-12-20(17)25-21/h1-32H;1-22H;5-14H,1-4H3
InChIKeyAWQCAOLBVAPULD-UHFFFAOYSA-N
XLogP26.54
TPSA121.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001584.54
LogP ≤ 526.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[3-(4-bromophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine with MolForge

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Related Compounds

2-[4,4''-Di(2-quinolyl)-1,1':3',1''-terphenyl-5-yl]-4,6-di-p-tolyl-1,3,5-triazine
CID 67356244
8-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine
CID 118332233
9-[3-(4,6-Dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine
CID 118332323
9-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine
CID 118332325
2-[3-[4,6-Bis(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-2-ylphenyl]quinoline
CID 118582380
8-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665134
6,8-Bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665135
6-[3,5-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665138
8-[4,6-Bis(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665259
8-(4,6-Diphenyl-1,3,5-triazin-2-yl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665422
6,8-Bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665466
8-(4,6-Diphenyl-1,3,5-triazin-2-yl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665730

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine?
The IUPAC name of 2-[3-(4-bromophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine (CID 157253710) is 2-[3-(4-bromophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine.
What is the SMILES notation for 2-[3-(4-bromophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine?
The canonical SMILES for 2-[3-(4-bromophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine is Brc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2)cc1.CC1(C)OB(c2nc3ccccc3c3cc4ccccc4cc23)OC1(C)C.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6nc7ccccc7c7cc8ccccc8cc67)cc5)c4)n3)cc2)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine?
The InChIKey is AWQCAOLBVAPULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4.C33H22BrN3.C23H22BNO2/c1-3-12-33(13-4-1)34-24-28-38(29-25-34)49-52-48(37-14-5-2-6-15-37)53-50(54-49)42-19-11-18-39(30-42)35-22-26-36(27-23-35)47-45-32-41-17-8-7-16-40(41)31-44(45)43-20-9-10-21-46(43)51-47;34-30-20-18-25(19-21-30)28-12-7-13-29(22-28)33-36-31(26-10-5-2-6-11-26)35-32(37-33)27-16-14-24(15-17-27)23-8-3-1-4-9-23;1-22(2)23(3,4)27-24(26-22)21-19-14-16-10-6-5-9-15(16)13-18(19)17-11-7-8-12-20(17)25-21/h1-32H;1-22H;5-14H,1-4H3.
What are the key properties of 2-[3-(4-bromophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine?
2-[3-(4-bromophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine has a molecular weight of 1584.54 g/mol, XLogP of 26.54, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;6-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[j]phenanthridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine is sourced from PubChem (CID 157253710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).