potassium;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;1,4-dibromobenzene;hydride;methane;N-phenylnaphthalen-1-amine;N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-amine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane

C118H111B2Br4KN6O5 — CID 158603944

IUPACpotassium;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;1,4-dibromobenzene;hydride;methane;N-phenylnaphthalen-1-amine;N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-amine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
SMILESBrc1ccc(Br)cc1.Brc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.Brc1cncc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1.C.C.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)OC1(C)C.[H-].[K+].c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C35H22BrN3.C28H28BNO2.C22H16BrN.C16H13N.C9H19BO3.C6H4Br2.2CH4.K.H/c36-25-17-24(21-37-22-25)23-18-26(38-32-13-5-1-9-28(32)29-10-2-6-14-33(29)38)20-27(19-23)39-34-15-7-3-11-30(34)31-12-4-8-16-35(31)39;1-27(2)28(3,4)32-29(31-27)22-17-19-24(20-18-22)30(23-13-6-5-7-14-23)26-16-10-12-21-11-8-9-15-25(21)26;23-18-13-15-20(16-14-18)24(19-9-2-1-3-10-19)22-12-6-8-17-7-4-5-11-21(17)22;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16;1-7(2)11-10-12-8(3,4)9(5,6)13-10;7-5-1-2-6(8)4-3-5;;;;/h1-22H;5-20H,1-4H3;1-16H;1-12,17H;7H,1-6H3;1-4H;2*1H4;;/q;;;;;;;;+1;-1
InChIKeyBRBHBLXDFXMLPM-UHFFFAOYSA-N
MW2073.56 g/mol
LogP31.57
Rot. Bonds14

About potassium;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;1,4-dibromobenzene;hydride;methane;N-phenylnaphthalen-1-amine;N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-amine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane

potassium;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;1,4-dibromobenzene;hydride;methane;N-phenylnaphthalen-1-amine;N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-amine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane (PubChem CID 158603944) has the molecular formula C118H111B2Br4KN6O5 and a molecular weight of 2073.56 g/mol. Its IUPAC name is potassium;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;1,4-dibromobenzene;hydride;methane;N-phenylnaphthalen-1-amine;N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-amine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane.

Molecular Properties

Compound Namepotassium;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;1,4-dibromobenzene;hydride;methane;N-phenylnaphthalen-1-amine;N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-amine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
PubChem CID158603944
Molecular FormulaC118H111B2Br4KN6O5
Molecular Weight2073.56 g/mol
Exact Mass2068.52
IUPAC Namepotassium;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;1,4-dibromobenzene;hydride;methane;N-phenylnaphthalen-1-amine;N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-amine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
SMILESBrc1ccc(Br)cc1.Brc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.Brc1cncc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1.C.C.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)OC1(C)C.[H-].[K+].c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C35H22BrN3.C28H28BNO2.C22H16BrN.C16H13N.C9H19BO3.C6H4Br2.2CH4.K.H/c36-25-17-24(21-37-22-25)23-18-26(38-32-13-5-1-9-28(32)29-10-2-6-14-33(29)38)20-27(19-23)39-34-15-7-3-11-30(34)31-12-4-8-16-35(31)39;1-27(2)28(3,4)32-29(31-27)22-17-19-24(20-18-22)30(23-13-6-5-7-14-23)26-16-10-12-21-11-8-9-15-25(21)26;23-18-13-15-20(16-14-18)24(19-9-2-1-3-10-19)22-12-6-8-17-7-4-5-11-21(17)22;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16;1-7(2)11-10-12-8(3,4)9(5,6)13-10;7-5-1-2-6(8)4-3-5;;;;/h1-22H;5-20H,1-4H3;1-16H;1-12,17H;7H,1-6H3;1-4H;2*1H4;;/q;;;;;;;;+1;-1
InChIKeyBRBHBLXDFXMLPM-UHFFFAOYSA-N
XLogP31.57
TPSA87.41 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002073.56
LogP ≤ 531.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze potassium;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;1,4-dibromobenzene;hydride;methane;N-phenylnaphthalen-1-amine;N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-amine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;1,4-dibromobenzene;hydride;methane;N-phenylnaphthalen-1-amine;N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-amine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
The IUPAC name of potassium;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;1,4-dibromobenzene;hydride;methane;N-phenylnaphthalen-1-amine;N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-amine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane (CID 158603944) is potassium;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;1,4-dibromobenzene;hydride;methane;N-phenylnaphthalen-1-amine;N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-amine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane.
What is the SMILES notation for potassium;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;1,4-dibromobenzene;hydride;methane;N-phenylnaphthalen-1-amine;N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-amine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
The canonical SMILES for potassium;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;1,4-dibromobenzene;hydride;methane;N-phenylnaphthalen-1-amine;N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-amine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane is Brc1ccc(Br)cc1.Brc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.Brc1cncc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1.C.C.CC(C)OB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)OC1(C)C.[H-].[K+].c1ccc(Nc2cccc3ccccc23)cc1.
What is the InChIKey of potassium;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;1,4-dibromobenzene;hydride;methane;N-phenylnaphthalen-1-amine;N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-amine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
The InChIKey is BRBHBLXDFXMLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22BrN3.C28H28BNO2.C22H16BrN.C16H13N.C9H19BO3.C6H4Br2.2CH4.K.H/c36-25-17-24(21-37-22-25)23-18-26(38-32-13-5-1-9-28(32)29-10-2-6-14-33(29)38)20-27(19-23)39-34-15-7-3-11-30(34)31-12-4-8-16-35(31)39;1-27(2)28(3,4)32-29(31-27)22-17-19-24(20-18-22)30(23-13-6-5-7-14-23)26-16-10-12-21-11-8-9-15-25(21)26;23-18-13-15-20(16-14-18)24(19-9-2-1-3-10-19)22-12-6-8-17-7-4-5-11-21(17)22;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16;1-7(2)11-10-12-8(3,4)9(5,6)13-10;7-5-1-2-6(8)4-3-5;;;;/h1-22H;5-20H,1-4H3;1-16H;1-12,17H;7H,1-6H3;1-4H;2*1H4;;/q;;;;;;;;+1;-1.
What are the key properties of potassium;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;1,4-dibromobenzene;hydride;methane;N-phenylnaphthalen-1-amine;N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-amine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
potassium;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;1,4-dibromobenzene;hydride;methane;N-phenylnaphthalen-1-amine;N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-amine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane has a molecular weight of 2073.56 g/mol, XLogP of 31.57, 14 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole;1,4-dibromobenzene;hydride;methane;N-phenylnaphthalen-1-amine;N-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-amine;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane is sourced from PubChem (CID 158603944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).