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

C142H99BBr2Cl3N9O3 — CID 164949350

IUPAC4-bromo-N-[2-(2-naphthalen-2-ylquinolin-6-yl)phenyl]benzamide;5-(4-bromophenyl)-2-naphthalen-2-ylbenzo[c][2,7]phenanthroline;6-chloro-2-naphthalen-2-ylquinoline;2,6-dichloroquinoline;2-(2-naphthalen-2-ylquinolin-6-yl)aniline;2-naphthalen-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SMILESBrc1ccc(-c2nc3ccccc3c3ccc4nc(-c5ccc6ccccc6c5)ccc4c23)cc1.CC1(C)OB(c2ccc3nc(-c4ccc5ccccc5c4)ccc3c2)OC1(C)C.Clc1ccc2nc(-c3ccc4ccccc4c3)ccc2c1.Clc1ccc2nc(Cl)ccc2c1.Nc1ccccc1-c1ccc2nc(-c3ccc4ccccc4c3)ccc2c1.O=C(Nc1ccccc1-c1ccc2nc(-c3ccc4ccccc4c3)ccc2c1)c1ccc(Br)cc1
InChIInChI=1S/C32H21BrN2O.C32H19BrN2.C25H24BNO2.C25H18N2.C19H12ClN.C9H5Cl2N/c33-27-15-11-22(12-16-27)32(36)35-31-8-4-3-7-28(31)24-13-17-29-26(20-24)14-18-30(34-29)25-10-9-21-5-1-2-6-23(21)19-25;33-24-13-11-21(12-14-24)32-31-26(25-7-3-4-8-29(25)35-32)15-18-30-27(31)16-17-28(34-30)23-10-9-20-5-1-2-6-22(20)19-23;1-24(2)25(3,4)29-26(28-24)21-12-14-23-20(16-21)11-13-22(27-23)19-10-9-17-7-5-6-8-18(17)15-19;26-23-8-4-3-7-22(23)19-11-13-24-21(16-19)12-14-25(27-24)20-10-9-17-5-1-2-6-18(17)15-20;20-17-8-10-19-16(12-17)7-9-18(21-19)15-6-5-13-3-1-2-4-14(13)11-15;10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-20H,(H,35,36);1-19H;5-16H,1-4H3;1-16H,26H2;1-12H;1-5H
InChIKeyAHSFVOXEFFAITC-UHFFFAOYSA-N
MW2256.39 g/mol
LogP38.83
Rot. Bonds11

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

4-bromo-N-[2-(2-naphthalen-2-ylquinolin-6-yl)phenyl]benzamide;5-(4-bromophenyl)-2-naphthalen-2-ylbenzo[c][2,7]phenanthroline;6-chloro-2-naphthalen-2-ylquinoline;2,6-dichloroquinoline;2-(2-naphthalen-2-ylquinolin-6-yl)aniline;2-naphthalen-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (PubChem CID 164949350) has the molecular formula C142H99BBr2Cl3N9O3 and a molecular weight of 2256.39 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-naphthalen-2-ylquinolin-6-yl)phenyl]benzamide;5-(4-bromophenyl)-2-naphthalen-2-ylbenzo[c][2,7]phenanthroline;6-chloro-2-naphthalen-2-ylquinoline;2,6-dichloroquinoline;2-(2-naphthalen-2-ylquinolin-6-yl)aniline;2-naphthalen-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

Molecular Properties

Compound Name4-bromo-N-[2-(2-naphthalen-2-ylquinolin-6-yl)phenyl]benzamide;5-(4-bromophenyl)-2-naphthalen-2-ylbenzo[c][2,7]phenanthroline;6-chloro-2-naphthalen-2-ylquinoline;2,6-dichloroquinoline;2-(2-naphthalen-2-ylquinolin-6-yl)aniline;2-naphthalen-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
PubChem CID164949350
Molecular FormulaC142H99BBr2Cl3N9O3
Molecular Weight2256.39 g/mol
Exact Mass2251.54
IUPAC Name4-bromo-N-[2-(2-naphthalen-2-ylquinolin-6-yl)phenyl]benzamide;5-(4-bromophenyl)-2-naphthalen-2-ylbenzo[c][2,7]phenanthroline;6-chloro-2-naphthalen-2-ylquinoline;2,6-dichloroquinoline;2-(2-naphthalen-2-ylquinolin-6-yl)aniline;2-naphthalen-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SMILESBrc1ccc(-c2nc3ccccc3c3ccc4nc(-c5ccc6ccccc6c5)ccc4c23)cc1.CC1(C)OB(c2ccc3nc(-c4ccc5ccccc5c4)ccc3c2)OC1(C)C.Clc1ccc2nc(-c3ccc4ccccc4c3)ccc2c1.Clc1ccc2nc(Cl)ccc2c1.Nc1ccccc1-c1ccc2nc(-c3ccc4ccccc4c3)ccc2c1.O=C(Nc1ccccc1-c1ccc2nc(-c3ccc4ccccc4c3)ccc2c1)c1ccc(Br)cc1
InChIInChI=1S/C32H21BrN2O.C32H19BrN2.C25H24BNO2.C25H18N2.C19H12ClN.C9H5Cl2N/c33-27-15-11-22(12-16-27)32(36)35-31-8-4-3-7-28(31)24-13-17-29-26(20-24)14-18-30(34-29)25-10-9-21-5-1-2-6-23(21)19-25;33-24-13-11-21(12-14-24)32-31-26(25-7-3-4-8-29(25)35-32)15-18-30-27(31)16-17-28(34-30)23-10-9-20-5-1-2-6-22(20)19-23;1-24(2)25(3,4)29-26(28-24)21-12-14-23-20(16-21)11-13-22(27-23)19-10-9-17-7-5-6-8-18(17)15-19;26-23-8-4-3-7-22(23)19-11-13-24-21(16-19)12-14-25(27-24)20-10-9-17-5-1-2-6-18(17)15-20;20-17-8-10-19-16(12-17)7-9-18(21-19)15-6-5-13-3-1-2-4-14(13)11-15;10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-20H,(H,35,36);1-19H;5-16H,1-4H3;1-16H,26H2;1-12H;1-5H
InChIKeyAHSFVOXEFFAITC-UHFFFAOYSA-N
XLogP38.83
TPSA163.81 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002256.39
LogP ≤ 538.83
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-naphthalen-2-ylquinolin-6-yl)phenyl]benzamide;5-(4-bromophenyl)-2-naphthalen-2-ylbenzo[c][2,7]phenanthroline;6-chloro-2-naphthalen-2-ylquinoline;2,6-dichloroquinoline;2-(2-naphthalen-2-ylquinolin-6-yl)aniline;2-naphthalen-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The IUPAC name of 4-bromo-N-[2-(2-naphthalen-2-ylquinolin-6-yl)phenyl]benzamide;5-(4-bromophenyl)-2-naphthalen-2-ylbenzo[c][2,7]phenanthroline;6-chloro-2-naphthalen-2-ylquinoline;2,6-dichloroquinoline;2-(2-naphthalen-2-ylquinolin-6-yl)aniline;2-naphthalen-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CID 164949350) is 4-bromo-N-[2-(2-naphthalen-2-ylquinolin-6-yl)phenyl]benzamide;5-(4-bromophenyl)-2-naphthalen-2-ylbenzo[c][2,7]phenanthroline;6-chloro-2-naphthalen-2-ylquinoline;2,6-dichloroquinoline;2-(2-naphthalen-2-ylquinolin-6-yl)aniline;2-naphthalen-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.
What is the SMILES notation for 4-bromo-N-[2-(2-naphthalen-2-ylquinolin-6-yl)phenyl]benzamide;5-(4-bromophenyl)-2-naphthalen-2-ylbenzo[c][2,7]phenanthroline;6-chloro-2-naphthalen-2-ylquinoline;2,6-dichloroquinoline;2-(2-naphthalen-2-ylquinolin-6-yl)aniline;2-naphthalen-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The canonical SMILES for 4-bromo-N-[2-(2-naphthalen-2-ylquinolin-6-yl)phenyl]benzamide;5-(4-bromophenyl)-2-naphthalen-2-ylbenzo[c][2,7]phenanthroline;6-chloro-2-naphthalen-2-ylquinoline;2,6-dichloroquinoline;2-(2-naphthalen-2-ylquinolin-6-yl)aniline;2-naphthalen-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is Brc1ccc(-c2nc3ccccc3c3ccc4nc(-c5ccc6ccccc6c5)ccc4c23)cc1.CC1(C)OB(c2ccc3nc(-c4ccc5ccccc5c4)ccc3c2)OC1(C)C.Clc1ccc2nc(-c3ccc4ccccc4c3)ccc2c1.Clc1ccc2nc(Cl)ccc2c1.Nc1ccccc1-c1ccc2nc(-c3ccc4ccccc4c3)ccc2c1.O=C(Nc1ccccc1-c1ccc2nc(-c3ccc4ccccc4c3)ccc2c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(2-naphthalen-2-ylquinolin-6-yl)phenyl]benzamide;5-(4-bromophenyl)-2-naphthalen-2-ylbenzo[c][2,7]phenanthroline;6-chloro-2-naphthalen-2-ylquinoline;2,6-dichloroquinoline;2-(2-naphthalen-2-ylquinolin-6-yl)aniline;2-naphthalen-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The InChIKey is AHSFVOXEFFAITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21BrN2O.C32H19BrN2.C25H24BNO2.C25H18N2.C19H12ClN.C9H5Cl2N/c33-27-15-11-22(12-16-27)32(36)35-31-8-4-3-7-28(31)24-13-17-29-26(20-24)14-18-30(34-29)25-10-9-21-5-1-2-6-23(21)19-25;33-24-13-11-21(12-14-24)32-31-26(25-7-3-4-8-29(25)35-32)15-18-30-27(31)16-17-28(34-30)23-10-9-20-5-1-2-6-22(20)19-23;1-24(2)25(3,4)29-26(28-24)21-12-14-23-20(16-21)11-13-22(27-23)19-10-9-17-7-5-6-8-18(17)15-19;26-23-8-4-3-7-22(23)19-11-13-24-21(16-19)12-14-25(27-24)20-10-9-17-5-1-2-6-18(17)15-20;20-17-8-10-19-16(12-17)7-9-18(21-19)15-6-5-13-3-1-2-4-14(13)11-15;10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-20H,(H,35,36);1-19H;5-16H,1-4H3;1-16H,26H2;1-12H;1-5H.
What are the key properties of 4-bromo-N-[2-(2-naphthalen-2-ylquinolin-6-yl)phenyl]benzamide;5-(4-bromophenyl)-2-naphthalen-2-ylbenzo[c][2,7]phenanthroline;6-chloro-2-naphthalen-2-ylquinoline;2,6-dichloroquinoline;2-(2-naphthalen-2-ylquinolin-6-yl)aniline;2-naphthalen-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
4-bromo-N-[2-(2-naphthalen-2-ylquinolin-6-yl)phenyl]benzamide;5-(4-bromophenyl)-2-naphthalen-2-ylbenzo[c][2,7]phenanthroline;6-chloro-2-naphthalen-2-ylquinoline;2,6-dichloroquinoline;2-(2-naphthalen-2-ylquinolin-6-yl)aniline;2-naphthalen-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline has a molecular weight of 2256.39 g/mol, XLogP of 38.83, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-naphthalen-2-ylquinolin-6-yl)phenyl]benzamide;5-(4-bromophenyl)-2-naphthalen-2-ylbenzo[c][2,7]phenanthroline;6-chloro-2-naphthalen-2-ylquinoline;2,6-dichloroquinoline;2-(2-naphthalen-2-ylquinolin-6-yl)aniline;2-naphthalen-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is sourced from PubChem (CID 164949350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).