7-bromo-2-phenylquinoline;8-chloro-3,5-diphenylbenzo[i][1,9]phenanthroline;5-chloro-2-(2-phenylquinolin-7-yl)aniline;N-[5-chloro-2-(2-phenylquinolin-7-yl)phenyl]benzamide;3,5-diphenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[i][1,9]phenanthroline;1-phenylethanone;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

C155H120B2BrCl3N10O6 — CID 164964668

IUPAC7-bromo-2-phenylquinoline;8-chloro-3,5-diphenylbenzo[i][1,9]phenanthroline;5-chloro-2-(2-phenylquinolin-7-yl)aniline;N-[5-chloro-2-(2-phenylquinolin-7-yl)phenyl]benzamide;3,5-diphenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[i][1,9]phenanthroline;1-phenylethanone;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SMILESBrc1ccc2ccc(-c3ccccc3)nc2c1.CC(=O)c1ccccc1.CC1(C)OB(c2ccc3c(c2)nc(-c2ccccc2)c2c3ccc3ccc(-c4ccccc4)nc32)OC1(C)C.CC1(C)OB(c2ccc3ccc(-c4ccccc4)nc3c2)OC1(C)C.Clc1ccc2c(c1)nc(-c1ccccc1)c1c2ccc2ccc(-c3ccccc3)nc21.Nc1cc(Cl)ccc1-c1ccc2ccc(-c3ccccc3)nc2c1.O=C(Nc1cc(Cl)ccc1-c1ccc2ccc(-c3ccccc3)nc2c1)c1ccccc1
InChIInChI=1S/C34H29BN2O2.C28H19ClN2O.C28H17ClN2.C21H22BNO2.C21H15ClN2.C15H10BrN.C8H8O/c1-33(2)34(3,4)39-35(38-33)25-17-19-26-27-18-15-24-16-20-28(22-11-7-5-8-12-22)36-32(24)30(27)31(37-29(26)21-25)23-13-9-6-10-14-23;29-23-14-15-24(27(18-23)31-28(32)21-9-5-2-6-10-21)22-12-11-20-13-16-25(30-26(20)17-22)19-7-3-1-4-8-19;29-21-13-15-22-23-14-11-20-12-16-24(18-7-3-1-4-8-18)30-28(20)26(23)27(31-25(22)17-21)19-9-5-2-6-10-19;1-20(2)21(3,4)25-22(24-20)17-12-10-16-11-13-18(23-19(16)14-17)15-8-6-5-7-9-15;22-17-9-10-18(19(23)13-17)16-7-6-15-8-11-20(24-21(15)12-16)14-4-2-1-3-5-14;16-13-8-6-12-7-9-14(17-15(12)10-13)11-4-2-1-3-5-11;1-7(9)8-5-3-2-4-6-8/h5-21H,1-4H3;1-18H,(H,31,32);1-17H;5-14H,1-4H3;1-13H,23H2;1-10H;2-6H,1H3
InChIKeyCHUHWFUALQFEPI-UHFFFAOYSA-N
MW2426.62 g/mol
LogP39.53
Rot. Bonds15

About 7-bromo-2-phenylquinoline;8-chloro-3,5-diphenylbenzo[i][1,9]phenanthroline;5-chloro-2-(2-phenylquinolin-7-yl)aniline;N-[5-chloro-2-(2-phenylquinolin-7-yl)phenyl]benzamide;3,5-diphenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[i][1,9]phenanthroline;1-phenylethanone;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

7-bromo-2-phenylquinoline;8-chloro-3,5-diphenylbenzo[i][1,9]phenanthroline;5-chloro-2-(2-phenylquinolin-7-yl)aniline;N-[5-chloro-2-(2-phenylquinolin-7-yl)phenyl]benzamide;3,5-diphenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[i][1,9]phenanthroline;1-phenylethanone;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (PubChem CID 164964668) has the molecular formula C155H120B2BrCl3N10O6 and a molecular weight of 2426.62 g/mol. Its IUPAC name is 7-bromo-2-phenylquinoline;8-chloro-3,5-diphenylbenzo[i][1,9]phenanthroline;5-chloro-2-(2-phenylquinolin-7-yl)aniline;N-[5-chloro-2-(2-phenylquinolin-7-yl)phenyl]benzamide;3,5-diphenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[i][1,9]phenanthroline;1-phenylethanone;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

Molecular Properties

Compound Name7-bromo-2-phenylquinoline;8-chloro-3,5-diphenylbenzo[i][1,9]phenanthroline;5-chloro-2-(2-phenylquinolin-7-yl)aniline;N-[5-chloro-2-(2-phenylquinolin-7-yl)phenyl]benzamide;3,5-diphenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[i][1,9]phenanthroline;1-phenylethanone;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
PubChem CID164964668
Molecular FormulaC155H120B2BrCl3N10O6
Molecular Weight2426.62 g/mol
Exact Mass2422.78
IUPAC Name7-bromo-2-phenylquinoline;8-chloro-3,5-diphenylbenzo[i][1,9]phenanthroline;5-chloro-2-(2-phenylquinolin-7-yl)aniline;N-[5-chloro-2-(2-phenylquinolin-7-yl)phenyl]benzamide;3,5-diphenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[i][1,9]phenanthroline;1-phenylethanone;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SMILESBrc1ccc2ccc(-c3ccccc3)nc2c1.CC(=O)c1ccccc1.CC1(C)OB(c2ccc3c(c2)nc(-c2ccccc2)c2c3ccc3ccc(-c4ccccc4)nc32)OC1(C)C.CC1(C)OB(c2ccc3ccc(-c4ccccc4)nc3c2)OC1(C)C.Clc1ccc2c(c1)nc(-c1ccccc1)c1c2ccc2ccc(-c3ccccc3)nc21.Nc1cc(Cl)ccc1-c1ccc2ccc(-c3ccccc3)nc2c1.O=C(Nc1cc(Cl)ccc1-c1ccc2ccc(-c3ccccc3)nc2c1)c1ccccc1
InChIInChI=1S/C34H29BN2O2.C28H19ClN2O.C28H17ClN2.C21H22BNO2.C21H15ClN2.C15H10BrN.C8H8O/c1-33(2)34(3,4)39-35(38-33)25-17-19-26-27-18-15-24-16-20-28(22-11-7-5-8-12-22)36-32(24)30(27)31(37-29(26)21-25)23-13-9-6-10-14-23;29-23-14-15-24(27(18-23)31-28(32)21-9-5-2-6-10-21)22-12-11-20-13-16-25(30-26(20)17-22)19-7-3-1-4-8-19;29-21-13-15-22-23-14-11-20-12-16-24(18-7-3-1-4-8-18)30-28(20)26(23)27(31-25(22)17-21)19-9-5-2-6-10-19;1-20(2)21(3,4)25-22(24-20)17-12-10-16-11-13-18(23-19(16)14-17)15-8-6-5-7-9-15;22-17-9-10-18(19(23)13-17)16-7-6-15-8-11-20(24-21(15)12-16)14-4-2-1-3-5-14;16-13-8-6-12-7-9-14(17-15(12)10-13)11-4-2-1-3-5-11;1-7(9)8-5-3-2-4-6-8/h5-21H,1-4H3;1-18H,(H,31,32);1-17H;5-14H,1-4H3;1-13H,23H2;1-10H;2-6H,1H3
InChIKeyCHUHWFUALQFEPI-UHFFFAOYSA-N
XLogP39.53
TPSA212.23 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002426.62
LogP ≤ 539.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 7-bromo-2-phenylquinoline;8-chloro-3,5-diphenylbenzo[i][1,9]phenanthroline;5-chloro-2-(2-phenylquinolin-7-yl)aniline;N-[5-chloro-2-(2-phenylquinolin-7-yl)phenyl]benzamide;3,5-diphenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[i][1,9]phenanthroline;1-phenylethanone;2-phenyl-7-(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 7-bromo-2-phenylquinoline;8-chloro-3,5-diphenylbenzo[i][1,9]phenanthroline;5-chloro-2-(2-phenylquinolin-7-yl)aniline;N-[5-chloro-2-(2-phenylquinolin-7-yl)phenyl]benzamide;3,5-diphenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[i][1,9]phenanthroline;1-phenylethanone;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The IUPAC name of 7-bromo-2-phenylquinoline;8-chloro-3,5-diphenylbenzo[i][1,9]phenanthroline;5-chloro-2-(2-phenylquinolin-7-yl)aniline;N-[5-chloro-2-(2-phenylquinolin-7-yl)phenyl]benzamide;3,5-diphenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[i][1,9]phenanthroline;1-phenylethanone;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CID 164964668) is 7-bromo-2-phenylquinoline;8-chloro-3,5-diphenylbenzo[i][1,9]phenanthroline;5-chloro-2-(2-phenylquinolin-7-yl)aniline;N-[5-chloro-2-(2-phenylquinolin-7-yl)phenyl]benzamide;3,5-diphenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[i][1,9]phenanthroline;1-phenylethanone;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.
What is the SMILES notation for 7-bromo-2-phenylquinoline;8-chloro-3,5-diphenylbenzo[i][1,9]phenanthroline;5-chloro-2-(2-phenylquinolin-7-yl)aniline;N-[5-chloro-2-(2-phenylquinolin-7-yl)phenyl]benzamide;3,5-diphenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[i][1,9]phenanthroline;1-phenylethanone;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The canonical SMILES for 7-bromo-2-phenylquinoline;8-chloro-3,5-diphenylbenzo[i][1,9]phenanthroline;5-chloro-2-(2-phenylquinolin-7-yl)aniline;N-[5-chloro-2-(2-phenylquinolin-7-yl)phenyl]benzamide;3,5-diphenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[i][1,9]phenanthroline;1-phenylethanone;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is Brc1ccc2ccc(-c3ccccc3)nc2c1.CC(=O)c1ccccc1.CC1(C)OB(c2ccc3c(c2)nc(-c2ccccc2)c2c3ccc3ccc(-c4ccccc4)nc32)OC1(C)C.CC1(C)OB(c2ccc3ccc(-c4ccccc4)nc3c2)OC1(C)C.Clc1ccc2c(c1)nc(-c1ccccc1)c1c2ccc2ccc(-c3ccccc3)nc21.Nc1cc(Cl)ccc1-c1ccc2ccc(-c3ccccc3)nc2c1.O=C(Nc1cc(Cl)ccc1-c1ccc2ccc(-c3ccccc3)nc2c1)c1ccccc1.
What is the InChIKey of 7-bromo-2-phenylquinoline;8-chloro-3,5-diphenylbenzo[i][1,9]phenanthroline;5-chloro-2-(2-phenylquinolin-7-yl)aniline;N-[5-chloro-2-(2-phenylquinolin-7-yl)phenyl]benzamide;3,5-diphenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[i][1,9]phenanthroline;1-phenylethanone;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The InChIKey is CHUHWFUALQFEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29BN2O2.C28H19ClN2O.C28H17ClN2.C21H22BNO2.C21H15ClN2.C15H10BrN.C8H8O/c1-33(2)34(3,4)39-35(38-33)25-17-19-26-27-18-15-24-16-20-28(22-11-7-5-8-12-22)36-32(24)30(27)31(37-29(26)21-25)23-13-9-6-10-14-23;29-23-14-15-24(27(18-23)31-28(32)21-9-5-2-6-10-21)22-12-11-20-13-16-25(30-26(20)17-22)19-7-3-1-4-8-19;29-21-13-15-22-23-14-11-20-12-16-24(18-7-3-1-4-8-18)30-28(20)26(23)27(31-25(22)17-21)19-9-5-2-6-10-19;1-20(2)21(3,4)25-22(24-20)17-12-10-16-11-13-18(23-19(16)14-17)15-8-6-5-7-9-15;22-17-9-10-18(19(23)13-17)16-7-6-15-8-11-20(24-21(15)12-16)14-4-2-1-3-5-14;16-13-8-6-12-7-9-14(17-15(12)10-13)11-4-2-1-3-5-11;1-7(9)8-5-3-2-4-6-8/h5-21H,1-4H3;1-18H,(H,31,32);1-17H;5-14H,1-4H3;1-13H,23H2;1-10H;2-6H,1H3.
What are the key properties of 7-bromo-2-phenylquinoline;8-chloro-3,5-diphenylbenzo[i][1,9]phenanthroline;5-chloro-2-(2-phenylquinolin-7-yl)aniline;N-[5-chloro-2-(2-phenylquinolin-7-yl)phenyl]benzamide;3,5-diphenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[i][1,9]phenanthroline;1-phenylethanone;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
7-bromo-2-phenylquinoline;8-chloro-3,5-diphenylbenzo[i][1,9]phenanthroline;5-chloro-2-(2-phenylquinolin-7-yl)aniline;N-[5-chloro-2-(2-phenylquinolin-7-yl)phenyl]benzamide;3,5-diphenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[i][1,9]phenanthroline;1-phenylethanone;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline has a molecular weight of 2426.62 g/mol, XLogP of 39.53, 15 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-phenylquinoline;8-chloro-3,5-diphenylbenzo[i][1,9]phenanthroline;5-chloro-2-(2-phenylquinolin-7-yl)aniline;N-[5-chloro-2-(2-phenylquinolin-7-yl)phenyl]benzamide;3,5-diphenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[i][1,9]phenanthroline;1-phenylethanone;2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is sourced from PubChem (CID 164964668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).