9-(5-bromo-3-pyridinyl)carbazole;9H-carbazole;9-[5-(5-carbazol-9-yl-3-pyridinyl)-3-pyridinyl]carbazole;3,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C80H69B2Br3N8O4 — CID 159437314

IUPAC9-(5-bromo-3-pyridinyl)carbazole;9H-carbazole;9-[5-(5-carbazol-9-yl-3-pyridinyl)-3-pyridinyl]carbazole;3,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1cncc(-n2c3ccccc3c3ccccc32)c1.Brc1cncc(Br)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)c1ccccc1n2-c1cncc(-c2cncc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C34H22N4.C17H11BrN2.C12H24B2O4.C12H9N.C5H3Br2N/c1-5-13-31-27(9-1)28-10-2-6-14-32(28)37(31)25-17-23(19-35-21-25)24-18-26(22-36-20-24)38-33-15-7-3-11-29(33)30-12-4-8-16-34(30)38;18-12-9-13(11-19-10-12)20-16-7-3-1-5-14(16)15-6-2-4-8-17(15)20;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;6-4-1-5(7)3-8-2-4/h1-22H;1-11H;1-8H3;1-8,13H;1-3H
InChIKeyLRSVRPZJSKWFAP-UHFFFAOYSA-N
MW1467.82 g/mol
LogP21.46
Rot. Bonds5

About 9-(5-bromo-3-pyridinyl)carbazole;9H-carbazole;9-[5-(5-carbazol-9-yl-3-pyridinyl)-3-pyridinyl]carbazole;3,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

9-(5-bromo-3-pyridinyl)carbazole;9H-carbazole;9-[5-(5-carbazol-9-yl-3-pyridinyl)-3-pyridinyl]carbazole;3,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159437314) has the molecular formula C80H69B2Br3N8O4 and a molecular weight of 1467.82 g/mol. Its IUPAC name is 9-(5-bromo-3-pyridinyl)carbazole;9H-carbazole;9-[5-(5-carbazol-9-yl-3-pyridinyl)-3-pyridinyl]carbazole;3,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name9-(5-bromo-3-pyridinyl)carbazole;9H-carbazole;9-[5-(5-carbazol-9-yl-3-pyridinyl)-3-pyridinyl]carbazole;3,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID159437314
Molecular FormulaC80H69B2Br3N8O4
Molecular Weight1467.82 g/mol
Exact Mass1464.32
IUPAC Name9-(5-bromo-3-pyridinyl)carbazole;9H-carbazole;9-[5-(5-carbazol-9-yl-3-pyridinyl)-3-pyridinyl]carbazole;3,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1cncc(-n2c3ccccc3c3ccccc32)c1.Brc1cncc(Br)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)c1ccccc1n2-c1cncc(-c2cncc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C34H22N4.C17H11BrN2.C12H24B2O4.C12H9N.C5H3Br2N/c1-5-13-31-27(9-1)28-10-2-6-14-32(28)37(31)25-17-23(19-35-21-25)24-18-26(22-36-20-24)38-33-15-7-3-11-29(33)30-12-4-8-16-34(30)38;18-12-9-13(11-19-10-12)20-16-7-3-1-5-14(16)15-6-2-4-8-17(15)20;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;6-4-1-5(7)3-8-2-4/h1-22H;1-11H;1-8H3;1-8,13H;1-3H
InChIKeyLRSVRPZJSKWFAP-UHFFFAOYSA-N
XLogP21.46
TPSA119.06 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001467.82
LogP ≤ 521.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 9-(5-bromo-3-pyridinyl)carbazole;9H-carbazole;9-[5-(5-carbazol-9-yl-3-pyridinyl)-3-pyridinyl]carbazole;3,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(5-bromo-3-pyridinyl)carbazole;9H-carbazole;9-[5-(5-carbazol-9-yl-3-pyridinyl)-3-pyridinyl]carbazole;3,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 9-(5-bromo-3-pyridinyl)carbazole;9H-carbazole;9-[5-(5-carbazol-9-yl-3-pyridinyl)-3-pyridinyl]carbazole;3,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159437314) is 9-(5-bromo-3-pyridinyl)carbazole;9H-carbazole;9-[5-(5-carbazol-9-yl-3-pyridinyl)-3-pyridinyl]carbazole;3,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 9-(5-bromo-3-pyridinyl)carbazole;9H-carbazole;9-[5-(5-carbazol-9-yl-3-pyridinyl)-3-pyridinyl]carbazole;3,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 9-(5-bromo-3-pyridinyl)carbazole;9H-carbazole;9-[5-(5-carbazol-9-yl-3-pyridinyl)-3-pyridinyl]carbazole;3,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1cncc(-n2c3ccccc3c3ccccc32)c1.Brc1cncc(Br)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)c1ccccc1n2-c1cncc(-c2cncc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 9-(5-bromo-3-pyridinyl)carbazole;9H-carbazole;9-[5-(5-carbazol-9-yl-3-pyridinyl)-3-pyridinyl]carbazole;3,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is LRSVRPZJSKWFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4.C17H11BrN2.C12H24B2O4.C12H9N.C5H3Br2N/c1-5-13-31-27(9-1)28-10-2-6-14-32(28)37(31)25-17-23(19-35-21-25)24-18-26(22-36-20-24)38-33-15-7-3-11-29(33)30-12-4-8-16-34(30)38;18-12-9-13(11-19-10-12)20-16-7-3-1-5-14(16)15-6-2-4-8-17(15)20;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;6-4-1-5(7)3-8-2-4/h1-22H;1-11H;1-8H3;1-8,13H;1-3H.
What are the key properties of 9-(5-bromo-3-pyridinyl)carbazole;9H-carbazole;9-[5-(5-carbazol-9-yl-3-pyridinyl)-3-pyridinyl]carbazole;3,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
9-(5-bromo-3-pyridinyl)carbazole;9H-carbazole;9-[5-(5-carbazol-9-yl-3-pyridinyl)-3-pyridinyl]carbazole;3,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1467.82 g/mol, XLogP of 21.46, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-bromo-3-pyridinyl)carbazole;9H-carbazole;9-[5-(5-carbazol-9-yl-3-pyridinyl)-3-pyridinyl]carbazole;3,5-dibromopyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159437314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).