1,5-dibromonaphthalene;4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyridine;2,6-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine

C95H72BBr2N3O2 — CID 158000100

IUPAC1,5-dibromonaphthalene;4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyridine;2,6-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
SMILESBrc1cccc2c(Br)cccc12.CC1(C)OB(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc2)OC1(C)C.c1ccc(-c2cc(-c3ccc(-c4cccc5c(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)c7)cc6)cccc45)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C56H38N2.C29H28BNO2.C10H6Br2/c1-5-15-43(16-6-1)53-35-47(36-54(57-53)44-17-7-2-8-18-44)39-27-31-41(32-28-39)49-23-13-26-52-50(24-14-25-51(49)52)42-33-29-40(30-34-42)48-37-55(45-19-9-3-10-20-45)58-56(38-48)46-21-11-4-12-22-46;1-28(2)29(3,4)33-30(32-28)25-17-15-21(16-18-25)24-19-26(22-11-7-5-8-12-22)31-27(20-24)23-13-9-6-10-14-23;11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-38H;5-20H,1-4H3;1-6H
InChIKeyFDPYNOJEFNZYKB-UHFFFAOYSA-N
MW1458.26 g/mol
LogP25.71
Rot. Bonds12

About 1,5-dibromonaphthalene;4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyridine;2,6-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine

1,5-dibromonaphthalene;4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyridine;2,6-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine (PubChem CID 158000100) has the molecular formula C95H72BBr2N3O2 and a molecular weight of 1458.26 g/mol. Its IUPAC name is 1,5-dibromonaphthalene;4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyridine;2,6-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name1,5-dibromonaphthalene;4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyridine;2,6-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
PubChem CID158000100
Molecular FormulaC95H72BBr2N3O2
Molecular Weight1458.26 g/mol
Exact Mass1455.41
IUPAC Name1,5-dibromonaphthalene;4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyridine;2,6-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
SMILESBrc1cccc2c(Br)cccc12.CC1(C)OB(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc2)OC1(C)C.c1ccc(-c2cc(-c3ccc(-c4cccc5c(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)c7)cc6)cccc45)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C56H38N2.C29H28BNO2.C10H6Br2/c1-5-15-43(16-6-1)53-35-47(36-54(57-53)44-17-7-2-8-18-44)39-27-31-41(32-28-39)49-23-13-26-52-50(24-14-25-51(49)52)42-33-29-40(30-34-42)48-37-55(45-19-9-3-10-20-45)58-56(38-48)46-21-11-4-12-22-46;1-28(2)29(3,4)33-30(32-28)25-17-15-21(16-18-25)24-19-26(22-11-7-5-8-12-22)31-27(20-24)23-13-9-6-10-14-23;11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-38H;5-20H,1-4H3;1-6H
InChIKeyFDPYNOJEFNZYKB-UHFFFAOYSA-N
XLogP25.71
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001458.26
LogP ≤ 525.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1,5-dibromonaphthalene;4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyridine;2,6-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,5-dibromonaphthalene;4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyridine;2,6-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The IUPAC name of 1,5-dibromonaphthalene;4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyridine;2,6-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine (CID 158000100) is 1,5-dibromonaphthalene;4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyridine;2,6-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine.
What is the SMILES notation for 1,5-dibromonaphthalene;4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyridine;2,6-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The canonical SMILES for 1,5-dibromonaphthalene;4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyridine;2,6-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine is Brc1cccc2c(Br)cccc12.CC1(C)OB(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc2)OC1(C)C.c1ccc(-c2cc(-c3ccc(-c4cccc5c(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)c7)cc6)cccc45)cc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1,5-dibromonaphthalene;4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyridine;2,6-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
The InChIKey is FDPYNOJEFNZYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2.C29H28BNO2.C10H6Br2/c1-5-15-43(16-6-1)53-35-47(36-54(57-53)44-17-7-2-8-18-44)39-27-31-41(32-28-39)49-23-13-26-52-50(24-14-25-51(49)52)42-33-29-40(30-34-42)48-37-55(45-19-9-3-10-20-45)58-56(38-48)46-21-11-4-12-22-46;1-28(2)29(3,4)33-30(32-28)25-17-15-21(16-18-25)24-19-26(22-11-7-5-8-12-22)31-27(20-24)23-13-9-6-10-14-23;11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-38H;5-20H,1-4H3;1-6H.
What are the key properties of 1,5-dibromonaphthalene;4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyridine;2,6-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine?
1,5-dibromonaphthalene;4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyridine;2,6-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine has a molecular weight of 1458.26 g/mol, XLogP of 25.71, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromonaphthalene;4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyridine;2,6-diphenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine is sourced from PubChem (CID 158000100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).