sodium;bis(carbon dioxide);[4-[3-(N-dibenzothiophen-3-yl-4-phenylanilino)phenyl]phenyl]boronic acid;N-[3-[4-(2,3-dibromo-1H-indol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[4-(2,3-dibromo-1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;hydride;methane;methanol;methyl 5-bromoindole-1-carboxylate;N-[3-[4-(1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;molecular bromine;naphthalen-1-ylboronic acid;tetrachloromethane

C195H142B2Br7Cl4N8NaO11S4 — CID 159449893

About sodium;bis(carbon dioxide);[4-[3-(N-dibenzothiophen-3-yl-4-phenylanilino)phenyl]phenyl]boronic acid;N-[3-[4-(2,3-dibromo-1H-indol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[4-(2,3-dibromo-1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;hydride;methane;methanol;methyl 5-bromoindole-1-carboxylate;N-[3-[4-(1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;molecular bromine;naphthalen-1-ylboronic acid;tetrachloromethane

sodium;bis(carbon dioxide);[4-[3-(N-dibenzothiophen-3-yl-4-phenylanilino)phenyl]phenyl]boronic acid;N-[3-[4-(2,3-dibromo-1H-indol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[4-(2,3-dibromo-1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;hydride;methane;methanol;methyl 5-bromoindole-1-carboxylate;N-[3-[4-(1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;molecular bromine;naphthalen-1-ylboronic acid;tetrachloromethane (PubChem CID 159449893) has the molecular formula C195H142B2Br7Cl4N8NaO11S4 and a molecular weight of 3647.35 g/mol. Its IUPAC name is sodium;bis(carbon dioxide);[4-[3-(N-dibenzothiophen-3-yl-4-phenylanilino)phenyl]phenyl]boronic acid;N-[3-[4-(2,3-dibromo-1H-indol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[4-(2,3-dibromo-1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;hydride;methane;methanol;methyl 5-bromoindole-1-carboxylate;N-[3-[4-(1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;molecular bromine;naphthalen-1-ylboronic acid;tetrachloromethane.

Molecular Properties

• Compound Name: sodium;bis(carbon dioxide);[4-[3-(N-dibenzothiophen-3-yl-4-phenylanilino)phenyl]phenyl]boronic acid;N-[3-[4-(2,3-dibromo-1H-indol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[4-(2,3-dibromo-1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;hydride;methane;methanol;methyl 5-bromoindole-1-carboxylate;N-[3-[4-(1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;molecular bromine;naphthalen-1-ylboronic acid;tetrachloromethane
• PubChem CID: 159449893
• Molecular Formula: C195H142B2Br7Cl4N8NaO11S4
• Molecular Weight: 3647.35 g/mol
• Exact Mass: 3636.28
• IUPAC Name: sodium;bis(carbon dioxide);[4-[3-(N-dibenzothiophen-3-yl-4-phenylanilino)phenyl]phenyl]boronic acid;N-[3-[4-(2,3-dibromo-1H-indol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[4-(2,3-dibromo-1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;hydride;methane;methanol;methyl 5-bromoindole-1-carboxylate;N-[3-[4-(1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;molecular bromine;naphthalen-1-ylboronic acid;tetrachloromethane
• SMILES: BrBr.Brc1[nH]c2ccc(-c3ccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)sc5ccccc56)c4)cc3)cc2c1Br.C.CO.COC(=O)n1ccc2cc(Br)ccc21.ClC(Cl)(Cl)Cl.Cn1c(Br)c(Br)c2cc(-c3ccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)sc5ccccc56)c4)cc3)ccc21.Cn1ccc2cc(-c3ccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)sc5ccccc56)c4)cc3)ccc21.O=C=O.O=C=O.OB(O)c1ccc(-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3ccccc34)c2)cc1.OB(O)c1cccc2ccccc12.[H-].[Na+]
• InChI: InChI=1S/C45H30Br2N2S.C45H32N2S.C44H28Br2N2S.C36H26BNO2S.C10H9BO2.C10H8BrNO2.CCl4.2CO2.CH4O.CH4.Br2.Na.H/c1-48-41-25-20-34(27-40(41)44(46)45(48)47)32-16-14-31(15-17-32)33-10-7-11-36(26-33)49(35-21-18-30(19-22-35)29-8-3-2-4-9-29)37-23-24-39-38-12-5-6-13-42(38)50-43(39)28-37;1-46-27-26-37-28-36(20-25-43(37)46)34-16-14-33(15-17-34)35-10-7-11-39(29-35)47(38-21-18-32(19-22-38)31-8-3-2-4-9-31)40-23-24-42-41-12-5-6-13-44(41)48-45(42)30-40;45-43-39-26-33(19-24-40(39)47-44(43)46)31-15-13-30(14-16-31)32-9-6-10-35(25-32)48(34-20-17-29(18-21-34)28-7-2-1-3-8-28)36-22-23-38-37-11-4-5-12-41(37)49-42(38)27-36;39-37(40)29-17-13-27(14-18-29)28-9-6-10-31(23-28)38(30-19-15-26(16-20-30)25-7-2-1-3-8-25)32-21-22-34-33-11-4-5-12-35(33)41-36(34)24-32;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-14-10(13)12-5-4-7-6-8(11)2-3-9(7)12;2-1(3,4)5;2*2-1-3;1-2;;1-2;;/h2-28H,1H3;2-30H,1H3;1-27,47H;1-24,39-40H;1-7,12-13H;2-6H,1H3;;;;2H,1H3;1H4;;;/q;;;;;;;;;;;;+1;-1
• InChIKey: JWWLXZQWFZBARS-UHFFFAOYSA-N
• XLogP: 54.60
• TPSA: 239.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3647.35
LogP ≤ 5	54.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;bis(carbon dioxide);[4-[3-(N-dibenzothiophen-3-yl-4-phenylanilino)phenyl]phenyl]boronic acid;N-[3-[4-(2,3-dibromo-1H-indol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[4-(2,3-dibromo-1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;hydride;methane;methanol;methyl 5-bromoindole-1-carboxylate;N-[3-[4-(1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;molecular bromine;naphthalen-1-ylboronic acid;tetrachloromethane?

The IUPAC name of sodium;bis(carbon dioxide);[4-[3-(N-dibenzothiophen-3-yl-4-phenylanilino)phenyl]phenyl]boronic acid;N-[3-[4-(2,3-dibromo-1H-indol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[4-(2,3-dibromo-1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;hydride;methane;methanol;methyl 5-bromoindole-1-carboxylate;N-[3-[4-(1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;molecular bromine;naphthalen-1-ylboronic acid;tetrachloromethane (CID 159449893) is sodium;bis(carbon dioxide);[4-[3-(N-dibenzothiophen-3-yl-4-phenylanilino)phenyl]phenyl]boronic acid;N-[3-[4-(2,3-dibromo-1H-indol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[4-(2,3-dibromo-1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;hydride;methane;methanol;methyl 5-bromoindole-1-carboxylate;N-[3-[4-(1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;molecular bromine;naphthalen-1-ylboronic acid;tetrachloromethane.

What is the SMILES notation for sodium;bis(carbon dioxide);[4-[3-(N-dibenzothiophen-3-yl-4-phenylanilino)phenyl]phenyl]boronic acid;N-[3-[4-(2,3-dibromo-1H-indol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[4-(2,3-dibromo-1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;hydride;methane;methanol;methyl 5-bromoindole-1-carboxylate;N-[3-[4-(1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;molecular bromine;naphthalen-1-ylboronic acid;tetrachloromethane?

The canonical SMILES for sodium;bis(carbon dioxide);[4-[3-(N-dibenzothiophen-3-yl-4-phenylanilino)phenyl]phenyl]boronic acid;N-[3-[4-(2,3-dibromo-1H-indol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[4-(2,3-dibromo-1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;hydride;methane;methanol;methyl 5-bromoindole-1-carboxylate;N-[3-[4-(1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;molecular bromine;naphthalen-1-ylboronic acid;tetrachloromethane is BrBr.Brc1[nH]c2ccc(-c3ccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)sc5ccccc56)c4)cc3)cc2c1Br.C.CO.COC(=O)n1ccc2cc(Br)ccc21.ClC(Cl)(Cl)Cl.Cn1c(Br)c(Br)c2cc(-c3ccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)sc5ccccc56)c4)cc3)ccc21.Cn1ccc2cc(-c3ccc(-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)sc5ccccc56)c4)cc3)ccc21.O=C=O.O=C=O.OB(O)c1ccc(-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3ccccc34)c2)cc1.OB(O)c1cccc2ccccc12.[H-].[Na+].

What is the InChIKey of sodium;bis(carbon dioxide);[4-[3-(N-dibenzothiophen-3-yl-4-phenylanilino)phenyl]phenyl]boronic acid;N-[3-[4-(2,3-dibromo-1H-indol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[4-(2,3-dibromo-1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;hydride;methane;methanol;methyl 5-bromoindole-1-carboxylate;N-[3-[4-(1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;molecular bromine;naphthalen-1-ylboronic acid;tetrachloromethane?

The InChIKey is JWWLXZQWFZBARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30Br2N2S.C45H32N2S.C44H28Br2N2S.C36H26BNO2S.C10H9BO2.C10H8BrNO2.CCl4.2CO2.CH4O.CH4.Br2.Na.H/c1-48-41-25-20-34(27-40(41)44(46)45(48)47)32-16-14-31(15-17-32)33-10-7-11-36(26-33)49(35-21-18-30(19-22-35)29-8-3-2-4-9-29)37-23-24-39-38-12-5-6-13-42(38)50-43(39)28-37;1-46-27-26-37-28-36(20-25-43(37)46)34-16-14-33(15-17-34)35-10-7-11-39(29-35)47(38-21-18-32(19-22-38)31-8-3-2-4-9-31)40-23-24-42-41-12-5-6-13-44(41)48-45(42)30-40;45-43-39-26-33(19-24-40(39)47-44(43)46)31-15-13-30(14-16-31)32-9-6-10-35(25-32)48(34-20-17-29(18-21-34)28-7-2-1-3-8-28)36-22-23-38-37-11-4-5-12-41(37)49-42(38)27-36;39-37(40)29-17-13-27(14-18-29)28-9-6-10-31(23-28)38(30-19-15-26(16-20-30)25-7-2-1-3-8-25)32-21-22-34-33-11-4-5-12-35(33)41-36(34)24-32;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;1-14-10(13)12-5-4-7-6-8(11)2-3-9(7)12;2-1(3,4)5;2*2-1-3;1-2;;1-2;;/h2-28H,1H3;2-30H,1H3;1-27,47H;1-24,39-40H;1-7,12-13H;2-6H,1H3;;;;2H,1H3;1H4;;;/q;;;;;;;;;;;;+1;-1.

What are the key properties of sodium;bis(carbon dioxide);[4-[3-(N-dibenzothiophen-3-yl-4-phenylanilino)phenyl]phenyl]boronic acid;N-[3-[4-(2,3-dibromo-1H-indol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[4-(2,3-dibromo-1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;hydride;methane;methanol;methyl 5-bromoindole-1-carboxylate;N-[3-[4-(1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;molecular bromine;naphthalen-1-ylboronic acid;tetrachloromethane?

sodium;bis(carbon dioxide);[4-[3-(N-dibenzothiophen-3-yl-4-phenylanilino)phenyl]phenyl]boronic acid;N-[3-[4-(2,3-dibromo-1H-indol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[4-(2,3-dibromo-1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;hydride;methane;methanol;methyl 5-bromoindole-1-carboxylate;N-[3-[4-(1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;molecular bromine;naphthalen-1-ylboronic acid;tetrachloromethane has a molecular weight of 3647.35 g/mol, XLogP of 54.60, 25 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;bis(carbon dioxide);[4-[3-(N-dibenzothiophen-3-yl-4-phenylanilino)phenyl]phenyl]boronic acid;N-[3-[4-(2,3-dibromo-1H-indol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-[4-(2,3-dibromo-1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;hydride;methane;methanol;methyl 5-bromoindole-1-carboxylate;N-[3-[4-(1-methylindol-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;molecular bromine;naphthalen-1-ylboronic acid;tetrachloromethane is sourced from PubChem (CID 159449893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).