4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolino[7,8-h]quinoline;4,9-dibromoquinolino[7,8-h]quinoline;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine

C80H56BBr3N10O2 — CID 159534683

IUPAC4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolino[7,8-h]quinoline;4,9-dibromoquinolino[7,8-h]quinoline;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
SMILESBrc1ccnc2c1ccc1ccc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccnc3c12.Brc1ccnc2c1ccc1ccc3c(Br)ccnc3c12.CC1(C)OB(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)OC1(C)C
InChIInChI=1S/C37H22BrN5.C27H26BN3O2.C16H8Br2N2/c38-31-20-22-40-34-30(31)18-16-24-15-17-29-28(19-21-39-33(29)32(24)34)23-11-13-27(14-12-23)37-42-35(25-7-3-1-4-8-25)41-36(43-37)26-9-5-2-6-10-26;1-26(2)27(3,4)33-28(32-26)22-17-15-21(16-18-22)25-30-23(19-11-7-5-8-12-19)29-24(31-25)20-13-9-6-10-14-20;17-12-5-7-19-15-10(12)3-1-9-2-4-11-13(18)6-8-20-16(11)14(9)15/h1-22H;5-18H,1-4H3;1-8H
InChIKeyMDLCMZPFZIMDDG-UHFFFAOYSA-N
MW1439.92 g/mol
LogP20.18
Rot. Bonds8

About 4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolino[7,8-h]quinoline;4,9-dibromoquinolino[7,8-h]quinoline;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine

4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolino[7,8-h]quinoline;4,9-dibromoquinolino[7,8-h]quinoline;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine (PubChem CID 159534683) has the molecular formula C80H56BBr3N10O2 and a molecular weight of 1439.92 g/mol. Its IUPAC name is 4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolino[7,8-h]quinoline;4,9-dibromoquinolino[7,8-h]quinoline;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolino[7,8-h]quinoline;4,9-dibromoquinolino[7,8-h]quinoline;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
PubChem CID159534683
Molecular FormulaC80H56BBr3N10O2
Molecular Weight1439.92 g/mol
Exact Mass1436.22
IUPAC Name4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolino[7,8-h]quinoline;4,9-dibromoquinolino[7,8-h]quinoline;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
SMILESBrc1ccnc2c1ccc1ccc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccnc3c12.Brc1ccnc2c1ccc1ccc3c(Br)ccnc3c12.CC1(C)OB(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)OC1(C)C
InChIInChI=1S/C37H22BrN5.C27H26BN3O2.C16H8Br2N2/c38-31-20-22-40-34-30(31)18-16-24-15-17-29-28(19-21-39-33(29)32(24)34)23-11-13-27(14-12-23)37-42-35(25-7-3-1-4-8-25)41-36(43-37)26-9-5-2-6-10-26;1-26(2)27(3,4)33-28(32-26)22-17-15-21(16-18-22)25-30-23(19-11-7-5-8-12-19)29-24(31-25)20-13-9-6-10-14-20;17-12-5-7-19-15-10(12)3-1-9-2-4-11-13(18)6-8-20-16(11)14(9)15/h1-22H;5-18H,1-4H3;1-8H
InChIKeyMDLCMZPFZIMDDG-UHFFFAOYSA-N
XLogP20.18
TPSA147.36 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001439.92
LogP ≤ 520.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolino[7,8-h]quinoline;4,9-dibromoquinolino[7,8-h]quinoline;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-7-phenylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-phenyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyrimidin-5-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine
CID 161164722
2-[2,3,4,5,6-Penta(quinazolin-2-yl)phenyl]quinazoline
CID 57615290
8-[4-[1-[4,6-Di(quinolin-8-yl)-1,3,5-triazin-2-yl]pyren-4-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline
CID 58233366
3-(1,3,5-Triazin-2-yl)-2-[5-[3-(1,3,5-triazin-2-yl)benzo[h][1,6]naphthyridin-2-yl]-12-heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]benzo[h][1,6]naphthyridine
CID 58479695
5,10-Bis(2,6-dipyridin-4-ylpyrimidin-4-yl)benzo[g]quinoline
CID 59182969
7,12-Bis(2,6-dipyridin-4-ylpyrimidin-4-yl)benzo[j]phenanthridine
CID 59183179
3-[6-Naphthalen-2-yl-2-[4-[4-(4-naphthalen-2-yl-6-quinolin-3-ylpyrimidin-2-yl)phenyl]phenyl]pyrimidin-4-yl]quinoline
CID 68018236
3-[6-Naphthalen-1-yl-2-[4-[4-(4-naphthalen-1-yl-6-quinolin-3-ylpyrimidin-2-yl)phenyl]phenyl]pyrimidin-4-yl]quinoline
CID 68018237
8-[6-Naphthalen-2-yl-2-[4-[4-(4-naphthalen-2-yl-6-quinolin-8-ylpyrimidin-2-yl)phenyl]phenyl]pyrimidin-4-yl]quinoline
CID 68018239
8-[2-[4-[4-[4,6-Di(quinolin-8-yl)pyrimidin-2-yl]phenyl]phenyl]-6-quinolin-8-ylpyrimidin-4-yl]quinoline
CID 68018242
8-[6-Naphthalen-1-yl-2-[4-[4-(4-naphthalen-1-yl-6-quinolin-8-ylpyrimidin-2-yl)phenyl]phenyl]pyrimidin-4-yl]quinoline
CID 68018243
3-[2-Naphthalen-2-yl-6-[4-[4-(2-naphthalen-2-yl-6-quinolin-3-ylpyrimidin-4-yl)phenyl]phenyl]pyrimidin-4-yl]quinoline
CID 68018265

Frequently Asked Questions

What is the IUPAC name of 4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolino[7,8-h]quinoline;4,9-dibromoquinolino[7,8-h]quinoline;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolino[7,8-h]quinoline;4,9-dibromoquinolino[7,8-h]quinoline;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine (CID 159534683) is 4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolino[7,8-h]quinoline;4,9-dibromoquinolino[7,8-h]quinoline;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolino[7,8-h]quinoline;4,9-dibromoquinolino[7,8-h]quinoline;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolino[7,8-h]quinoline;4,9-dibromoquinolino[7,8-h]quinoline;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine is Brc1ccnc2c1ccc1ccc3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccnc3c12.Brc1ccnc2c1ccc1ccc3c(Br)ccnc3c12.CC1(C)OB(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)OC1(C)C.
What is the InChIKey of 4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolino[7,8-h]quinoline;4,9-dibromoquinolino[7,8-h]quinoline;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is MDLCMZPFZIMDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22BrN5.C27H26BN3O2.C16H8Br2N2/c38-31-20-22-40-34-30(31)18-16-24-15-17-29-28(19-21-39-33(29)32(24)34)23-11-13-27(14-12-23)37-42-35(25-7-3-1-4-8-25)41-36(43-37)26-9-5-2-6-10-26;1-26(2)27(3,4)33-28(32-26)22-17-15-21(16-18-22)25-30-23(19-11-7-5-8-12-19)29-24(31-25)20-13-9-6-10-14-20;17-12-5-7-19-15-10(12)3-1-9-2-4-11-13(18)6-8-20-16(11)14(9)15/h1-22H;5-18H,1-4H3;1-8H.
What are the key properties of 4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolino[7,8-h]quinoline;4,9-dibromoquinolino[7,8-h]quinoline;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine?
4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolino[7,8-h]quinoline;4,9-dibromoquinolino[7,8-h]quinoline;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 1439.92 g/mol, XLogP of 20.18, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolino[7,8-h]quinoline;4,9-dibromoquinolino[7,8-h]quinoline;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 159534683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).