5-(4-bromophenyl)-2-phenylbenzo[c][2,7]phenanthroline;4-bromo-N-[2-(2-phenylquinolin-6-yl)phenyl]benzamide;6-chloro-2-phenylquinoline;2,6-dichloroquinoline;2-(2-phenylquinolin-6-yl)aniline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

C122H89BBr2Cl3N9O3 — CID 165002307

IUPAC5-(4-bromophenyl)-2-phenylbenzo[c][2,7]phenanthroline;4-bromo-N-[2-(2-phenylquinolin-6-yl)phenyl]benzamide;6-chloro-2-phenylquinoline;2,6-dichloroquinoline;2-(2-phenylquinolin-6-yl)aniline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SMILESBrc1ccc(-c2nc3ccccc3c3ccc4nc(-c5ccccc5)ccc4c23)cc1.CC1(C)OB(c2ccc3nc(-c4ccccc4)ccc3c2)OC1(C)C.Clc1ccc2nc(-c3ccccc3)ccc2c1.Clc1ccc2nc(Cl)ccc2c1.Nc1ccccc1-c1ccc2nc(-c3ccccc3)ccc2c1.O=C(Nc1ccccc1-c1ccc2nc(-c3ccccc3)ccc2c1)c1ccc(Br)cc1
InChIInChI=1S/C28H19BrN2O.C28H17BrN2.C21H22BNO2.C21H16N2.C15H10ClN.C9H5Cl2N/c29-23-14-10-20(11-15-23)28(32)31-27-9-5-4-8-24(27)21-12-16-26-22(18-21)13-17-25(30-26)19-6-2-1-3-7-19;29-20-12-10-19(11-13-20)28-27-22(21-8-4-5-9-25(21)31-28)14-17-26-23(27)15-16-24(30-26)18-6-2-1-3-7-18;1-20(2)21(3,4)25-22(24-20)17-11-13-19-16(14-17)10-12-18(23-19)15-8-6-5-7-9-15;22-19-9-5-4-8-18(19)16-10-12-21-17(14-16)11-13-20(23-21)15-6-2-1-3-7-15;16-13-7-9-15-12(10-13)6-8-14(17-15)11-4-2-1-3-5-11;10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-18H,(H,31,32);1-17H;5-14H,1-4H3;1-14H,22H2;1-10H;1-5H
InChIKeyIKZONRCVTJSBDJ-UHFFFAOYSA-N
MW2006.09 g/mol
LogP33.07
Rot. Bonds11

About 5-(4-bromophenyl)-2-phenylbenzo[c][2,7]phenanthroline;4-bromo-N-[2-(2-phenylquinolin-6-yl)phenyl]benzamide;6-chloro-2-phenylquinoline;2,6-dichloroquinoline;2-(2-phenylquinolin-6-yl)aniline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

5-(4-bromophenyl)-2-phenylbenzo[c][2,7]phenanthroline;4-bromo-N-[2-(2-phenylquinolin-6-yl)phenyl]benzamide;6-chloro-2-phenylquinoline;2,6-dichloroquinoline;2-(2-phenylquinolin-6-yl)aniline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (PubChem CID 165002307) has the molecular formula C122H89BBr2Cl3N9O3 and a molecular weight of 2006.09 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-phenylbenzo[c][2,7]phenanthroline;4-bromo-N-[2-(2-phenylquinolin-6-yl)phenyl]benzamide;6-chloro-2-phenylquinoline;2,6-dichloroquinoline;2-(2-phenylquinolin-6-yl)aniline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-phenylbenzo[c][2,7]phenanthroline;4-bromo-N-[2-(2-phenylquinolin-6-yl)phenyl]benzamide;6-chloro-2-phenylquinoline;2,6-dichloroquinoline;2-(2-phenylquinolin-6-yl)aniline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
PubChem CID165002307
Molecular FormulaC122H89BBr2Cl3N9O3
Molecular Weight2006.09 g/mol
Exact Mass2001.46
IUPAC Name5-(4-bromophenyl)-2-phenylbenzo[c][2,7]phenanthroline;4-bromo-N-[2-(2-phenylquinolin-6-yl)phenyl]benzamide;6-chloro-2-phenylquinoline;2,6-dichloroquinoline;2-(2-phenylquinolin-6-yl)aniline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SMILESBrc1ccc(-c2nc3ccccc3c3ccc4nc(-c5ccccc5)ccc4c23)cc1.CC1(C)OB(c2ccc3nc(-c4ccccc4)ccc3c2)OC1(C)C.Clc1ccc2nc(-c3ccccc3)ccc2c1.Clc1ccc2nc(Cl)ccc2c1.Nc1ccccc1-c1ccc2nc(-c3ccccc3)ccc2c1.O=C(Nc1ccccc1-c1ccc2nc(-c3ccccc3)ccc2c1)c1ccc(Br)cc1
InChIInChI=1S/C28H19BrN2O.C28H17BrN2.C21H22BNO2.C21H16N2.C15H10ClN.C9H5Cl2N/c29-23-14-10-20(11-15-23)28(32)31-27-9-5-4-8-24(27)21-12-16-26-22(18-21)13-17-25(30-26)19-6-2-1-3-7-19;29-20-12-10-19(11-13-20)28-27-22(21-8-4-5-9-25(21)31-28)14-17-26-23(27)15-16-24(30-26)18-6-2-1-3-7-18;1-20(2)21(3,4)25-22(24-20)17-11-13-19-16(14-17)10-12-18(23-19)15-8-6-5-7-9-15;22-19-9-5-4-8-18(19)16-10-12-21-17(14-16)11-13-20(23-21)15-6-2-1-3-7-15;16-13-7-9-15-12(10-13)6-8-14(17-15)11-4-2-1-3-5-11;10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-18H,(H,31,32);1-17H;5-14H,1-4H3;1-14H,22H2;1-10H;1-5H
InChIKeyIKZONRCVTJSBDJ-UHFFFAOYSA-N
XLogP33.07
TPSA163.81 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002006.09
LogP ≤ 533.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-(4-bromophenyl)-2-phenylbenzo[c][2,7]phenanthroline;4-bromo-N-[2-(2-phenylquinolin-6-yl)phenyl]benzamide;6-chloro-2-phenylquinoline;2,6-dichloroquinoline;2-(2-phenylquinolin-6-yl)aniline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-phenylbenzo[c][2,7]phenanthroline;4-bromo-N-[2-(2-phenylquinolin-6-yl)phenyl]benzamide;6-chloro-2-phenylquinoline;2,6-dichloroquinoline;2-(2-phenylquinolin-6-yl)aniline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The IUPAC name of 5-(4-bromophenyl)-2-phenylbenzo[c][2,7]phenanthroline;4-bromo-N-[2-(2-phenylquinolin-6-yl)phenyl]benzamide;6-chloro-2-phenylquinoline;2,6-dichloroquinoline;2-(2-phenylquinolin-6-yl)aniline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CID 165002307) is 5-(4-bromophenyl)-2-phenylbenzo[c][2,7]phenanthroline;4-bromo-N-[2-(2-phenylquinolin-6-yl)phenyl]benzamide;6-chloro-2-phenylquinoline;2,6-dichloroquinoline;2-(2-phenylquinolin-6-yl)aniline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.
What is the SMILES notation for 5-(4-bromophenyl)-2-phenylbenzo[c][2,7]phenanthroline;4-bromo-N-[2-(2-phenylquinolin-6-yl)phenyl]benzamide;6-chloro-2-phenylquinoline;2,6-dichloroquinoline;2-(2-phenylquinolin-6-yl)aniline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The canonical SMILES for 5-(4-bromophenyl)-2-phenylbenzo[c][2,7]phenanthroline;4-bromo-N-[2-(2-phenylquinolin-6-yl)phenyl]benzamide;6-chloro-2-phenylquinoline;2,6-dichloroquinoline;2-(2-phenylquinolin-6-yl)aniline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is Brc1ccc(-c2nc3ccccc3c3ccc4nc(-c5ccccc5)ccc4c23)cc1.CC1(C)OB(c2ccc3nc(-c4ccccc4)ccc3c2)OC1(C)C.Clc1ccc2nc(-c3ccccc3)ccc2c1.Clc1ccc2nc(Cl)ccc2c1.Nc1ccccc1-c1ccc2nc(-c3ccccc3)ccc2c1.O=C(Nc1ccccc1-c1ccc2nc(-c3ccccc3)ccc2c1)c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-2-phenylbenzo[c][2,7]phenanthroline;4-bromo-N-[2-(2-phenylquinolin-6-yl)phenyl]benzamide;6-chloro-2-phenylquinoline;2,6-dichloroquinoline;2-(2-phenylquinolin-6-yl)aniline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The InChIKey is IKZONRCVTJSBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19BrN2O.C28H17BrN2.C21H22BNO2.C21H16N2.C15H10ClN.C9H5Cl2N/c29-23-14-10-20(11-15-23)28(32)31-27-9-5-4-8-24(27)21-12-16-26-22(18-21)13-17-25(30-26)19-6-2-1-3-7-19;29-20-12-10-19(11-13-20)28-27-22(21-8-4-5-9-25(21)31-28)14-17-26-23(27)15-16-24(30-26)18-6-2-1-3-7-18;1-20(2)21(3,4)25-22(24-20)17-11-13-19-16(14-17)10-12-18(23-19)15-8-6-5-7-9-15;22-19-9-5-4-8-18(19)16-10-12-21-17(14-16)11-13-20(23-21)15-6-2-1-3-7-15;16-13-7-9-15-12(10-13)6-8-14(17-15)11-4-2-1-3-5-11;10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-18H,(H,31,32);1-17H;5-14H,1-4H3;1-14H,22H2;1-10H;1-5H.
What are the key properties of 5-(4-bromophenyl)-2-phenylbenzo[c][2,7]phenanthroline;4-bromo-N-[2-(2-phenylquinolin-6-yl)phenyl]benzamide;6-chloro-2-phenylquinoline;2,6-dichloroquinoline;2-(2-phenylquinolin-6-yl)aniline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
5-(4-bromophenyl)-2-phenylbenzo[c][2,7]phenanthroline;4-bromo-N-[2-(2-phenylquinolin-6-yl)phenyl]benzamide;6-chloro-2-phenylquinoline;2,6-dichloroquinoline;2-(2-phenylquinolin-6-yl)aniline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline has a molecular weight of 2006.09 g/mol, XLogP of 33.07, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-phenylbenzo[c][2,7]phenanthroline;4-bromo-N-[2-(2-phenylquinolin-6-yl)phenyl]benzamide;6-chloro-2-phenylquinoline;2,6-dichloroquinoline;2-(2-phenylquinolin-6-yl)aniline;2-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is sourced from PubChem (CID 165002307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).