5-bromo-N-(2-naphthalen-1-ylphenyl)quinoline-8-carboxamide;6-(5-bromoquinolin-8-yl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene

C90H62BBr2N7O7 — CID 161310504

IUPAC5-bromo-N-(2-naphthalen-1-ylphenyl)quinoline-8-carboxamide;6-(5-bromoquinolin-8-yl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene
SMILESBrc1ccc(-c2nc3ccccc3c3c2ccc2ccccc23)c2ncccc12.Nc1ccccc1-c1cccc2ccccc12.O=C(Nc1ccccc1-c1cccc2ccccc12)c1ccc(Br)c2cccnc12.O=[N+]([O-])c1ccccc1-c1cccc2ccccc12.O=[N+]([O-])c1ccccc1B(O)O
InChIInChI=1S/C26H17BrN2O.C26H15BrN2.C16H11NO2.C16H13N.C6H6BNO4/c27-23-15-14-22(25-21(23)12-6-16-28-25)26(30)29-24-13-4-3-10-20(24)19-11-5-8-17-7-1-2-9-18(17)19;27-22-14-13-21(25-18(22)9-5-15-28-25)26-20-12-11-16-6-1-2-7-17(16)24(20)19-8-3-4-10-23(19)29-26;18-17(19)16-11-4-3-9-15(16)14-10-5-7-12-6-1-2-8-13(12)14;17-16-11-4-3-9-15(16)14-10-5-7-12-6-1-2-8-13(12)14;9-7(10)5-3-1-2-4-6(5)8(11)12/h1-16H,(H,29,30);1-15H;1-11H;1-11H,17H2;1-4,9-10H
InChIKeyVIUZVFFYJTXZKT-UHFFFAOYSA-N
MW1524.15 g/mol
LogP22.37
Rot. Bonds9

About 5-bromo-N-(2-naphthalen-1-ylphenyl)quinoline-8-carboxamide;6-(5-bromoquinolin-8-yl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene

5-bromo-N-(2-naphthalen-1-ylphenyl)quinoline-8-carboxamide;6-(5-bromoquinolin-8-yl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene (PubChem CID 161310504) has the molecular formula C90H62BBr2N7O7 and a molecular weight of 1524.15 g/mol. Its IUPAC name is 5-bromo-N-(2-naphthalen-1-ylphenyl)quinoline-8-carboxamide;6-(5-bromoquinolin-8-yl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene.

Molecular Properties

Compound Name5-bromo-N-(2-naphthalen-1-ylphenyl)quinoline-8-carboxamide;6-(5-bromoquinolin-8-yl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene
PubChem CID161310504
Molecular FormulaC90H62BBr2N7O7
Molecular Weight1524.15 g/mol
Exact Mass1521.32
IUPAC Name5-bromo-N-(2-naphthalen-1-ylphenyl)quinoline-8-carboxamide;6-(5-bromoquinolin-8-yl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene
SMILESBrc1ccc(-c2nc3ccccc3c3c2ccc2ccccc23)c2ncccc12.Nc1ccccc1-c1cccc2ccccc12.O=C(Nc1ccccc1-c1cccc2ccccc12)c1ccc(Br)c2cccnc12.O=[N+]([O-])c1ccccc1-c1cccc2ccccc12.O=[N+]([O-])c1ccccc1B(O)O
InChIInChI=1S/C26H17BrN2O.C26H15BrN2.C16H11NO2.C16H13N.C6H6BNO4/c27-23-15-14-22(25-21(23)12-6-16-28-25)26(30)29-24-13-4-3-10-20(24)19-11-5-8-17-7-1-2-9-18(17)19;27-22-14-13-21(25-18(22)9-5-15-28-25)26-20-12-11-16-6-1-2-7-17(16)24(20)19-8-3-4-10-23(19)29-26;18-17(19)16-11-4-3-9-15(16)14-10-5-7-12-6-1-2-8-13(12)14;17-16-11-4-3-9-15(16)14-10-5-7-12-6-1-2-8-13(12)14;9-7(10)5-3-1-2-4-6(5)8(11)12/h1-16H,(H,29,30);1-15H;1-11H;1-11H,17H2;1-4,9-10H
InChIKeyVIUZVFFYJTXZKT-UHFFFAOYSA-N
XLogP22.37
TPSA220.53 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001524.15
LogP ≤ 522.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-nitrobenzene;7-(4-bromophenyl)benzo[k][1,8]phenanthroline;8-bromoquinoline;8-(2-nitrophenyl)quinoline;2-quinolin-8-ylaniline;quinolin-8-ylboronic acid
CID 158881566
N-(5-bromoquinolin-8-yl)-2-nitrobenzamide
CID 1332037
6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine
CID 122665365
6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine
CID 122665547
6-(5-bromoquinolin-8-yl)-9,10-bis(ethenyl)phenanthridine
CID 144876877
2-nitro-N-quinolin-8-ylnaphthalene-1-carboxamide
CID 134950470
4-(2-nitrophenyl)benzo[c]phenanthrene
CID 154597914
N-(2-bromophenyl)-8-hydroxyquinoline-7-carboxamide;methane
CID 161317877
4-bromo-1-iodo-2-nitrobenzene;1-(4-bromo-2-nitrophenyl)naphthalene;naphthalen-1-ylboronic acid
CID 159476549
N-(2-bromophenyl)quinoline-8-carboxamide
CID 60651885
N-(5-bromoquinolin-8-yl)-1-ethyl-4-nitropyrazole-5-carboxamide
CID 19476311
N-[4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2-nitrobenzamide
CID 19592856

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-naphthalen-1-ylphenyl)quinoline-8-carboxamide;6-(5-bromoquinolin-8-yl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene?
The IUPAC name of 5-bromo-N-(2-naphthalen-1-ylphenyl)quinoline-8-carboxamide;6-(5-bromoquinolin-8-yl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene (CID 161310504) is 5-bromo-N-(2-naphthalen-1-ylphenyl)quinoline-8-carboxamide;6-(5-bromoquinolin-8-yl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene.
What is the SMILES notation for 5-bromo-N-(2-naphthalen-1-ylphenyl)quinoline-8-carboxamide;6-(5-bromoquinolin-8-yl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene?
The canonical SMILES for 5-bromo-N-(2-naphthalen-1-ylphenyl)quinoline-8-carboxamide;6-(5-bromoquinolin-8-yl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene is Brc1ccc(-c2nc3ccccc3c3c2ccc2ccccc23)c2ncccc12.Nc1ccccc1-c1cccc2ccccc12.O=C(Nc1ccccc1-c1cccc2ccccc12)c1ccc(Br)c2cccnc12.O=[N+]([O-])c1ccccc1-c1cccc2ccccc12.O=[N+]([O-])c1ccccc1B(O)O.
What is the InChIKey of 5-bromo-N-(2-naphthalen-1-ylphenyl)quinoline-8-carboxamide;6-(5-bromoquinolin-8-yl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene?
The InChIKey is VIUZVFFYJTXZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrN2O.C26H15BrN2.C16H11NO2.C16H13N.C6H6BNO4/c27-23-15-14-22(25-21(23)12-6-16-28-25)26(30)29-24-13-4-3-10-20(24)19-11-5-8-17-7-1-2-9-18(17)19;27-22-14-13-21(25-18(22)9-5-15-28-25)26-20-12-11-16-6-1-2-7-17(16)24(20)19-8-3-4-10-23(19)29-26;18-17(19)16-11-4-3-9-15(16)14-10-5-7-12-6-1-2-8-13(12)14;17-16-11-4-3-9-15(16)14-10-5-7-12-6-1-2-8-13(12)14;9-7(10)5-3-1-2-4-6(5)8(11)12/h1-16H,(H,29,30);1-15H;1-11H;1-11H,17H2;1-4,9-10H.
What are the key properties of 5-bromo-N-(2-naphthalen-1-ylphenyl)quinoline-8-carboxamide;6-(5-bromoquinolin-8-yl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene?
5-bromo-N-(2-naphthalen-1-ylphenyl)quinoline-8-carboxamide;6-(5-bromoquinolin-8-yl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene has a molecular weight of 1524.15 g/mol, XLogP of 22.37, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-naphthalen-1-ylphenyl)quinoline-8-carboxamide;6-(5-bromoquinolin-8-yl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene is sourced from PubChem (CID 161310504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).