7-bromo-2-naphthalen-2-ylquinoline;9-chloro-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)aniline;N-[4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;1-naphthalen-2-ylethanone;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

C145H103BBrCl3N8O4 — CID 165027230

IUPAC7-bromo-2-naphthalen-2-ylquinoline;9-chloro-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)aniline;N-[4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;1-naphthalen-2-ylethanone;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SMILESBrc1ccc2ccc(-c3ccc4ccccc4c3)nc2c1.CC(=O)c1ccc2ccccc2c1.CC1(C)OB(c2ccc3ccc(-c4ccc5ccccc5c4)nc3c2)OC1(C)C.Clc1ccc2nc(-c3ccccc3)c3c(ccc4ccc(-c5ccc6ccccc6c5)nc43)c2c1.Nc1ccc(Cl)cc1-c1ccc2ccc(-c3ccc4ccccc4c3)nc2c1.O=C(Nc1ccc(Cl)cc1-c1ccc2ccc(-c3ccc4ccccc4c3)nc2c1)c1ccccc1
InChIInChI=1S/C32H21ClN2O.C32H19ClN2.C25H24BNO2.C25H17ClN2.C19H12BrN.C12H10O/c33-27-15-17-30(35-32(36)23-7-2-1-3-8-23)28(20-27)25-12-11-22-14-16-29(34-31(22)19-25)26-13-10-21-6-4-5-9-24(21)18-26;33-25-14-17-29-27(19-25)26-15-12-22-13-16-28(24-11-10-20-6-4-5-9-23(20)18-24)34-32(22)30(26)31(35-29)21-7-2-1-3-8-21;1-24(2)25(3,4)29-26(28-24)21-13-11-18-12-14-22(27-23(18)16-21)20-10-9-17-7-5-6-8-19(17)15-20;26-21-10-11-23(27)22(15-21)19-7-6-17-9-12-24(28-25(17)14-19)20-8-5-16-3-1-2-4-18(16)13-20;20-17-9-7-14-8-10-18(21-19(14)12-17)16-6-5-13-3-1-2-4-15(13)11-16;1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h1-20H,(H,35,36);1-19H;5-16H,1-4H3;1-15H,27H2;1-12H;2-8H,1H3
InChIKeyMBVTWPDOBNTPKN-UHFFFAOYSA-N
MW2218.55 g/mol
LogP38.88
Rot. Bonds12

About 7-bromo-2-naphthalen-2-ylquinoline;9-chloro-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)aniline;N-[4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;1-naphthalen-2-ylethanone;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

7-bromo-2-naphthalen-2-ylquinoline;9-chloro-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)aniline;N-[4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;1-naphthalen-2-ylethanone;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (PubChem CID 165027230) has the molecular formula C145H103BBrCl3N8O4 and a molecular weight of 2218.55 g/mol. Its IUPAC name is 7-bromo-2-naphthalen-2-ylquinoline;9-chloro-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)aniline;N-[4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;1-naphthalen-2-ylethanone;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

Molecular Properties

Compound Name7-bromo-2-naphthalen-2-ylquinoline;9-chloro-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)aniline;N-[4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;1-naphthalen-2-ylethanone;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
PubChem CID165027230
Molecular FormulaC145H103BBrCl3N8O4
Molecular Weight2218.55 g/mol
Exact Mass2214.64
IUPAC Name7-bromo-2-naphthalen-2-ylquinoline;9-chloro-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)aniline;N-[4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;1-naphthalen-2-ylethanone;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SMILESBrc1ccc2ccc(-c3ccc4ccccc4c3)nc2c1.CC(=O)c1ccc2ccccc2c1.CC1(C)OB(c2ccc3ccc(-c4ccc5ccccc5c4)nc3c2)OC1(C)C.Clc1ccc2nc(-c3ccccc3)c3c(ccc4ccc(-c5ccc6ccccc6c5)nc43)c2c1.Nc1ccc(Cl)cc1-c1ccc2ccc(-c3ccc4ccccc4c3)nc2c1.O=C(Nc1ccc(Cl)cc1-c1ccc2ccc(-c3ccc4ccccc4c3)nc2c1)c1ccccc1
InChIInChI=1S/C32H21ClN2O.C32H19ClN2.C25H24BNO2.C25H17ClN2.C19H12BrN.C12H10O/c33-27-15-17-30(35-32(36)23-7-2-1-3-8-23)28(20-27)25-12-11-22-14-16-29(34-31(22)19-25)26-13-10-21-6-4-5-9-24(21)18-26;33-25-14-17-29-27(19-25)26-15-12-22-13-16-28(24-11-10-20-6-4-5-9-23(20)18-24)34-32(22)30(26)31(35-29)21-7-2-1-3-8-21;1-24(2)25(3,4)29-26(28-24)21-13-11-18-12-14-22(27-23(18)16-21)20-10-9-17-7-5-6-8-19(17)15-20;26-21-10-11-23(27)22(15-21)19-7-6-17-9-12-24(28-25(17)14-19)20-8-5-16-3-1-2-4-18(16)13-20;20-17-9-7-14-8-10-18(21-19(14)12-17)16-6-5-13-3-1-2-4-15(13)11-16;1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h1-20H,(H,35,36);1-19H;5-16H,1-4H3;1-15H,27H2;1-12H;2-8H,1H3
InChIKeyMBVTWPDOBNTPKN-UHFFFAOYSA-N
XLogP38.88
TPSA167.99 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002218.55
LogP ≤ 538.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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-naphthalen-2-ylquinoline;9-chloro-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)aniline;N-[4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;1-naphthalen-2-ylethanone;2-naphthalen-2-yl-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-naphthalen-2-ylquinoline;9-chloro-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)aniline;N-[4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;1-naphthalen-2-ylethanone;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The IUPAC name of 7-bromo-2-naphthalen-2-ylquinoline;9-chloro-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)aniline;N-[4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;1-naphthalen-2-ylethanone;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CID 165027230) is 7-bromo-2-naphthalen-2-ylquinoline;9-chloro-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)aniline;N-[4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;1-naphthalen-2-ylethanone;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.
What is the SMILES notation for 7-bromo-2-naphthalen-2-ylquinoline;9-chloro-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)aniline;N-[4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;1-naphthalen-2-ylethanone;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The canonical SMILES for 7-bromo-2-naphthalen-2-ylquinoline;9-chloro-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)aniline;N-[4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;1-naphthalen-2-ylethanone;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is Brc1ccc2ccc(-c3ccc4ccccc4c3)nc2c1.CC(=O)c1ccc2ccccc2c1.CC1(C)OB(c2ccc3ccc(-c4ccc5ccccc5c4)nc3c2)OC1(C)C.Clc1ccc2nc(-c3ccccc3)c3c(ccc4ccc(-c5ccc6ccccc6c5)nc43)c2c1.Nc1ccc(Cl)cc1-c1ccc2ccc(-c3ccc4ccccc4c3)nc2c1.O=C(Nc1ccc(Cl)cc1-c1ccc2ccc(-c3ccc4ccccc4c3)nc2c1)c1ccccc1.
What is the InChIKey of 7-bromo-2-naphthalen-2-ylquinoline;9-chloro-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)aniline;N-[4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;1-naphthalen-2-ylethanone;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The InChIKey is MBVTWPDOBNTPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21ClN2O.C32H19ClN2.C25H24BNO2.C25H17ClN2.C19H12BrN.C12H10O/c33-27-15-17-30(35-32(36)23-7-2-1-3-8-23)28(20-27)25-12-11-22-14-16-29(34-31(22)19-25)26-13-10-21-6-4-5-9-24(21)18-26;33-25-14-17-29-27(19-25)26-15-12-22-13-16-28(24-11-10-20-6-4-5-9-23(20)18-24)34-32(22)30(26)31(35-29)21-7-2-1-3-8-21;1-24(2)25(3,4)29-26(28-24)21-13-11-18-12-14-22(27-23(18)16-21)20-10-9-17-7-5-6-8-19(17)15-20;26-21-10-11-23(27)22(15-21)19-7-6-17-9-12-24(28-25(17)14-19)20-8-5-16-3-1-2-4-18(16)13-20;20-17-9-7-14-8-10-18(21-19(14)12-17)16-6-5-13-3-1-2-4-15(13)11-16;1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h1-20H,(H,35,36);1-19H;5-16H,1-4H3;1-15H,27H2;1-12H;2-8H,1H3.
What are the key properties of 7-bromo-2-naphthalen-2-ylquinoline;9-chloro-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)aniline;N-[4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;1-naphthalen-2-ylethanone;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
7-bromo-2-naphthalen-2-ylquinoline;9-chloro-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)aniline;N-[4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;1-naphthalen-2-ylethanone;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline has a molecular weight of 2218.55 g/mol, XLogP of 38.88, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-naphthalen-2-ylquinoline;9-chloro-3-naphthalen-2-yl-5-phenylbenzo[i][1,9]phenanthroline;4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)aniline;N-[4-chloro-2-(2-naphthalen-2-ylquinolin-7-yl)phenyl]benzamide;1-naphthalen-2-ylethanone;2-naphthalen-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is sourced from PubChem (CID 165027230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).