6-bromo-N-(2-naphthalen-1-ylphenyl)pyridine-3-carboxamide;6-(6-bromo-3-pyridinyl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzo[k]phenanthridine

C110H83B2Br2N9O9 — CID 160978033

IUPAC6-bromo-N-(2-naphthalen-1-ylphenyl)pyridine-3-carboxamide;6-(6-bromo-3-pyridinyl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzo[k]phenanthridine
SMILESBrc1ccc(-c2nc3ccccc3c3c2ccc2ccccc23)cn1.CC1(C)OB(c2ccc(-c3nc4ccccc4c4c3ccc3ccccc34)cn2)OC1(C)C.Nc1ccccc1-c1cccc2ccccc12.O=C(Nc1ccccc1-c1cccc2ccccc12)c1ccc(Br)nc1.O=[N+]([O-])c1ccccc1-c1cccc2ccccc12.O=[N+]([O-])c1ccccc1B(O)O
InChIInChI=1S/C28H25BN2O2.C22H15BrN2O.C22H13BrN2.C16H11NO2.C16H13N.C6H6BNO4/c1-27(2)28(3,4)33-29(32-27)24-16-14-19(17-30-24)26-22-15-13-18-9-5-6-10-20(18)25(22)21-11-7-8-12-23(21)31-26;23-21-13-12-16(14-24-21)22(26)25-20-11-4-3-9-19(20)18-10-5-7-15-6-1-2-8-17(15)18;23-20-12-10-15(13-24-20)22-18-11-9-14-5-1-2-6-16(14)21(18)17-7-3-4-8-19(17)25-22;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/h5-17H,1-4H3;1-14H,(H,25,26);1-13H;1-11H;1-11H,17H2;1-4,9-10H
InChIKeySZDBYEFGTVCZEB-UHFFFAOYSA-N
MW1856.36 g/mol
LogP25.96
Rot. Bonds11

About 6-bromo-N-(2-naphthalen-1-ylphenyl)pyridine-3-carboxamide;6-(6-bromo-3-pyridinyl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzo[k]phenanthridine

6-bromo-N-(2-naphthalen-1-ylphenyl)pyridine-3-carboxamide;6-(6-bromo-3-pyridinyl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzo[k]phenanthridine (PubChem CID 160978033) has the molecular formula C110H83B2Br2N9O9 and a molecular weight of 1856.36 g/mol. Its IUPAC name is 6-bromo-N-(2-naphthalen-1-ylphenyl)pyridine-3-carboxamide;6-(6-bromo-3-pyridinyl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-bromo-N-(2-naphthalen-1-ylphenyl)pyridine-3-carboxamide;6-(6-bromo-3-pyridinyl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzo[k]phenanthridine
PubChem CID160978033
Molecular FormulaC110H83B2Br2N9O9
Molecular Weight1856.36 g/mol
Exact Mass1853.49
IUPAC Name6-bromo-N-(2-naphthalen-1-ylphenyl)pyridine-3-carboxamide;6-(6-bromo-3-pyridinyl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzo[k]phenanthridine
SMILESBrc1ccc(-c2nc3ccccc3c3c2ccc2ccccc23)cn1.CC1(C)OB(c2ccc(-c3nc4ccccc4c4c3ccc3ccccc34)cn2)OC1(C)C.Nc1ccccc1-c1cccc2ccccc12.O=C(Nc1ccccc1-c1cccc2ccccc12)c1ccc(Br)nc1.O=[N+]([O-])c1ccccc1-c1cccc2ccccc12.O=[N+]([O-])c1ccccc1B(O)O
InChIInChI=1S/C28H25BN2O2.C22H15BrN2O.C22H13BrN2.C16H11NO2.C16H13N.C6H6BNO4/c1-27(2)28(3,4)33-29(32-27)24-16-14-19(17-30-24)26-22-15-13-18-9-5-6-10-20(18)25(22)21-11-7-8-12-23(21)31-26;23-21-13-12-16(14-24-21)22(26)25-20-11-4-3-9-19(20)18-10-5-7-15-6-1-2-8-17(15)18;23-20-12-10-15(13-24-20)22-18-11-9-14-5-1-2-6-16(14)21(18)17-7-3-4-8-19(17)25-22;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/h5-17H,1-4H3;1-14H,(H,25,26);1-13H;1-11H;1-11H,17H2;1-4,9-10H
InChIKeySZDBYEFGTVCZEB-UHFFFAOYSA-N
XLogP25.96
TPSA264.77 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001856.36
LogP ≤ 525.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-naphthalen-1-ylphenyl)pyridine-3-carboxamide;6-(6-bromo-3-pyridinyl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzo[k]phenanthridine?
The IUPAC name of 6-bromo-N-(2-naphthalen-1-ylphenyl)pyridine-3-carboxamide;6-(6-bromo-3-pyridinyl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzo[k]phenanthridine (CID 160978033) is 6-bromo-N-(2-naphthalen-1-ylphenyl)pyridine-3-carboxamide;6-(6-bromo-3-pyridinyl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzo[k]phenanthridine.
What is the SMILES notation for 6-bromo-N-(2-naphthalen-1-ylphenyl)pyridine-3-carboxamide;6-(6-bromo-3-pyridinyl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzo[k]phenanthridine?
The canonical SMILES for 6-bromo-N-(2-naphthalen-1-ylphenyl)pyridine-3-carboxamide;6-(6-bromo-3-pyridinyl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzo[k]phenanthridine is Brc1ccc(-c2nc3ccccc3c3c2ccc2ccccc23)cn1.CC1(C)OB(c2ccc(-c3nc4ccccc4c4c3ccc3ccccc34)cn2)OC1(C)C.Nc1ccccc1-c1cccc2ccccc12.O=C(Nc1ccccc1-c1cccc2ccccc12)c1ccc(Br)nc1.O=[N+]([O-])c1ccccc1-c1cccc2ccccc12.O=[N+]([O-])c1ccccc1B(O)O.
What is the InChIKey of 6-bromo-N-(2-naphthalen-1-ylphenyl)pyridine-3-carboxamide;6-(6-bromo-3-pyridinyl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzo[k]phenanthridine?
The InChIKey is SZDBYEFGTVCZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25BN2O2.C22H15BrN2O.C22H13BrN2.C16H11NO2.C16H13N.C6H6BNO4/c1-27(2)28(3,4)33-29(32-27)24-16-14-19(17-30-24)26-22-15-13-18-9-5-6-10-20(18)25(22)21-11-7-8-12-23(21)31-26;23-21-13-12-16(14-24-21)22(26)25-20-11-4-3-9-19(20)18-10-5-7-15-6-1-2-8-17(15)18;23-20-12-10-15(13-24-20)22-18-11-9-14-5-1-2-6-16(14)21(18)17-7-3-4-8-19(17)25-22;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/h5-17H,1-4H3;1-14H,(H,25,26);1-13H;1-11H;1-11H,17H2;1-4,9-10H.
What are the key properties of 6-bromo-N-(2-naphthalen-1-ylphenyl)pyridine-3-carboxamide;6-(6-bromo-3-pyridinyl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzo[k]phenanthridine?
6-bromo-N-(2-naphthalen-1-ylphenyl)pyridine-3-carboxamide;6-(6-bromo-3-pyridinyl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzo[k]phenanthridine has a molecular weight of 1856.36 g/mol, XLogP of 25.96, 11 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-naphthalen-1-ylphenyl)pyridine-3-carboxamide;6-(6-bromo-3-pyridinyl)benzo[k]phenanthridine;2-naphthalen-1-ylaniline;(2-nitrophenyl)boronic acid;1-(2-nitrophenyl)naphthalene;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzo[k]phenanthridine is sourced from PubChem (CID 160978033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).