6-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine;2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-bromo-N-pyridin-2-ylpyridin-2-amine

C54H46BBrN6O2 — CID 157075720

IUPAC6-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine;2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-bromo-N-pyridin-2-ylpyridin-2-amine
SMILESBrc1cccc(Nc2ccccn2)n1.CC1(C)OB(c2c3ccccc3cc3ccccc23)OC1(C)C.c1ccc(Nc2cccc(-c3c4ccccc4cc4ccccc34)n2)nc1
InChIInChI=1S/C24H17N3.C20H21BO2.C10H8BrN3/c1-3-10-19-17(8-1)16-18-9-2-4-11-20(18)24(19)21-12-7-14-23(26-21)27-22-13-5-6-15-25-22;1-19(2)20(3,4)23-21(22-19)18-16-11-7-5-9-14(16)13-15-10-6-8-12-17(15)18;11-8-4-3-6-10(13-8)14-9-5-1-2-7-12-9/h1-16H,(H,25,26,27);5-13H,1-4H3;1-7H,(H,12,13,14)
InChIKeyACYKORGBMKKSOW-UHFFFAOYSA-N
MW901.72 g/mol
LogP13.47
Rot. Bonds6

About 6-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine;2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-bromo-N-pyridin-2-ylpyridin-2-amine

6-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine;2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-bromo-N-pyridin-2-ylpyridin-2-amine (PubChem CID 157075720) has the molecular formula C54H46BBrN6O2 and a molecular weight of 901.72 g/mol. Its IUPAC name is 6-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine;2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-bromo-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name6-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine;2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-bromo-N-pyridin-2-ylpyridin-2-amine
PubChem CID157075720
Molecular FormulaC54H46BBrN6O2
Molecular Weight901.72 g/mol
Exact Mass900.30
IUPAC Name6-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine;2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-bromo-N-pyridin-2-ylpyridin-2-amine
SMILESBrc1cccc(Nc2ccccn2)n1.CC1(C)OB(c2c3ccccc3cc3ccccc23)OC1(C)C.c1ccc(Nc2cccc(-c3c4ccccc4cc4ccccc34)n2)nc1
InChIInChI=1S/C24H17N3.C20H21BO2.C10H8BrN3/c1-3-10-19-17(8-1)16-18-9-2-4-11-20(18)24(19)21-12-7-14-23(26-21)27-22-13-5-6-15-25-22;1-19(2)20(3,4)23-21(22-19)18-16-11-7-5-9-14(16)13-15-10-6-8-12-17(15)18;11-8-4-3-6-10(13-8)14-9-5-1-2-7-12-9/h1-16H,(H,25,26,27);5-13H,1-4H3;1-7H,(H,12,13,14)
InChIKeyACYKORGBMKKSOW-UHFFFAOYSA-N
XLogP13.47
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.72
LogP ≤ 513.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3,3-difluoro-7-methyl-2,4-dihydro-1H-naphthalene;5-(7,7-difluoro-3-methyl-6,8-dihydro-5H-naphthalen-2-yl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 159194183
2-(4-Phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 140796906
2,4-Dinaphthalen-1-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine
CID 140838407
2,4-Bis(5,6,7,8-tetrahydronaphthalen-2-yl)-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine
CID 140838529
2,4-Dinaphthalen-2-yl-6-[6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-pyridinyl]-1,3,5-triazine
CID 140838979
2-[6-[4-[2-[3-[2-[4-[5-[4,6-Bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 141674161
CID 145575688
CID 145575688
4-(4-Bromophenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine;phenanthren-9-ylboronic acid;4-(4-phenanthren-9-ylphenyl)-6-(3-phenylphenyl)-2-pyridin-3-ylpyrimidine
CID 157068329
4-(4-Bromophenyl)-6-[4-(4-bromophenyl)phenyl]-2-phenylpyrimidine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-1-ium;2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 157076766
2-Bromo-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)pyrimidine;2,4-dibromopyrimidine;2-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane
CID 157101141
8-(4-Bromophenyl)quinoline;8-[4-[4-(2,5,6-triphenylpyrimidin-4-yl)phenyl]phenyl]quinoline;2,4,5-triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 157104554
10-Bromo-9-naphthalen-2-yl-1,2-dihydroanthracene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]phenyl]boronic acid
CID 157115196

Frequently Asked Questions

What is the IUPAC name of 6-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine;2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-bromo-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 6-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine;2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-bromo-N-pyridin-2-ylpyridin-2-amine (CID 157075720) is 6-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine;2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-bromo-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 6-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine;2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-bromo-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 6-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine;2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-bromo-N-pyridin-2-ylpyridin-2-amine is Brc1cccc(Nc2ccccn2)n1.CC1(C)OB(c2c3ccccc3cc3ccccc23)OC1(C)C.c1ccc(Nc2cccc(-c3c4ccccc4cc4ccccc34)n2)nc1.
What is the InChIKey of 6-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine;2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-bromo-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is ACYKORGBMKKSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3.C20H21BO2.C10H8BrN3/c1-3-10-19-17(8-1)16-18-9-2-4-11-20(18)24(19)21-12-7-14-23(26-21)27-22-13-5-6-15-25-22;1-19(2)20(3,4)23-21(22-19)18-16-11-7-5-9-14(16)13-15-10-6-8-12-17(15)18;11-8-4-3-6-10(13-8)14-9-5-1-2-7-12-9/h1-16H,(H,25,26,27);5-13H,1-4H3;1-7H,(H,12,13,14).
What are the key properties of 6-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine;2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-bromo-N-pyridin-2-ylpyridin-2-amine?
6-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine;2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-bromo-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 901.72 g/mol, XLogP of 13.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anthracen-9-yl-N-pyridin-2-ylpyridin-2-amine;2-anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;6-bromo-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 157075720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).