sodium;3-(2,3-dibromo-1H-indol-5-yl)-9-(4-phenylquinazolin-2-yl)carbazole;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;methyl 5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]boronic acid;tetrachloromethane

C154H106B2Br7Cl4N16NaO11 — CID 157134877

IUPACsodium;3-(2,3-dibromo-1H-indol-5-yl)-9-(4-phenylquinazolin-2-yl)carbazole;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;methyl 5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]boronic acid;tetrachloromethane
SMILESBrBr.Brc1[nH]c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)cc2c1Br.CO.COC(=O)n1c(Br)c(Br)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)ccc21.COC(=O)n1ccc2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)ccc21.COC(=O)n1ccc2cc(Br)ccc21.ClC(Cl)(Cl)Cl.OB(O)c1ccc2c(c1)c1ccccc1n2-c1nc(-c2ccccc2)c2ccccc2n1.OB(O)c1cccc2ccccc12.[H-].[Na+]
InChIInChI=1S/C36H22Br2N4O2.C36H24N4O2.C34H20Br2N4.C26H18BN3O2.C10H9BO2.C10H8BrNO2.CCl4.CH4O.Br2.Na.H/c1-44-36(43)42-31-18-16-23(20-27(31)32(37)34(42)38)22-15-17-30-26(19-22)24-11-6-8-14-29(24)41(30)35-39-28-13-7-5-12-25(28)33(40-35)21-9-3-2-4-10-21;1-42-36(41)39-20-19-26-21-24(15-17-31(26)39)25-16-18-33-29(22-25)27-11-6-8-14-32(27)40(33)35-37-30-13-7-5-12-28(30)34(38-35)23-9-3-2-4-10-23;35-31-26-19-21(14-16-28(26)37-33(31)36)22-15-17-30-25(18-22)23-10-5-7-13-29(23)40(30)34-38-27-12-6-4-11-24(27)32(39-34)20-8-2-1-3-9-20;31-27(32)18-14-15-24-21(16-18)19-10-5-7-13-23(19)30(24)26-28-22-12-6-4-11-20(22)25(29-26)17-8-2-1-3-9-17;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*1-2;;/h2-20H,1H3;2-22H,1H3;1-19,37H;1-16,31-32H;1-7,12-13H;2-6H,1H3;;2H,1H3;;;/q;;;;;;;;;+1;-1
InChIKeyRQQFRXJOJIGFBO-UHFFFAOYSA-N
MW3102.40 g/mol
LogP37.43
Rot. Bonds13

About sodium;3-(2,3-dibromo-1H-indol-5-yl)-9-(4-phenylquinazolin-2-yl)carbazole;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;methyl 5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]boronic acid;tetrachloromethane

sodium;3-(2,3-dibromo-1H-indol-5-yl)-9-(4-phenylquinazolin-2-yl)carbazole;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;methyl 5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]boronic acid;tetrachloromethane (PubChem CID 157134877) has the molecular formula C154H106B2Br7Cl4N16NaO11 and a molecular weight of 3102.40 g/mol. Its IUPAC name is sodium;3-(2,3-dibromo-1H-indol-5-yl)-9-(4-phenylquinazolin-2-yl)carbazole;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;methyl 5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]boronic acid;tetrachloromethane.

Molecular Properties

Compound Namesodium;3-(2,3-dibromo-1H-indol-5-yl)-9-(4-phenylquinazolin-2-yl)carbazole;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;methyl 5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]boronic acid;tetrachloromethane
PubChem CID157134877
Molecular FormulaC154H106B2Br7Cl4N16NaO11
Molecular Weight3102.40 g/mol
Exact Mass3092.13
IUPAC Namesodium;3-(2,3-dibromo-1H-indol-5-yl)-9-(4-phenylquinazolin-2-yl)carbazole;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;methyl 5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]boronic acid;tetrachloromethane
SMILESBrBr.Brc1[nH]c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)cc2c1Br.CO.COC(=O)n1c(Br)c(Br)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)ccc21.COC(=O)n1ccc2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)ccc21.COC(=O)n1ccc2cc(Br)ccc21.ClC(Cl)(Cl)Cl.OB(O)c1ccc2c(c1)c1ccccc1n2-c1nc(-c2ccccc2)c2ccccc2n1.OB(O)c1cccc2ccccc12.[H-].[Na+]
InChIInChI=1S/C36H22Br2N4O2.C36H24N4O2.C34H20Br2N4.C26H18BN3O2.C10H9BO2.C10H8BrNO2.CCl4.CH4O.Br2.Na.H/c1-44-36(43)42-31-18-16-23(20-27(31)32(37)34(42)38)22-15-17-30-26(19-22)24-11-6-8-14-29(24)41(30)35-39-28-13-7-5-12-25(28)33(40-35)21-9-3-2-4-10-21;1-42-36(41)39-20-19-26-21-24(15-17-31(26)39)25-16-18-33-29(22-25)27-11-6-8-14-32(27)40(33)35-37-30-13-7-5-12-28(30)34(38-35)23-9-3-2-4-10-23;35-31-26-19-21(14-16-28(26)37-33(31)36)22-15-17-30-25(18-22)23-10-5-7-13-29(23)40(30)34-38-27-12-6-4-11-24(27)32(39-34)20-8-2-1-3-9-20;31-27(32)18-14-15-24-21(16-18)19-10-5-7-13-23(19)30(24)26-28-22-12-6-4-11-20(22)25(29-26)17-8-2-1-3-9-17;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*1-2;;/h2-20H,1H3;2-22H,1H3;1-19,37H;1-16,31-32H;1-7,12-13H;2-6H,1H3;;2H,1H3;;;/q;;;;;;;;;+1;-1
InChIKeyRQQFRXJOJIGFBO-UHFFFAOYSA-N
XLogP37.43
TPSA333.47 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds13
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003102.40
LogP ≤ 537.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze sodium;3-(2,3-dibromo-1H-indol-5-yl)-9-(4-phenylquinazolin-2-yl)carbazole;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;methyl 5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]boronic acid;tetrachloromethane with MolForge

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Related Compounds

2-(5-bromo-3-pyridinyl)-1H-indole;2-(5-bromo-3-pyridinyl)-1-methylindole;6-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine;tert-butyl 2-(5-bromo-3-pyridinyl)indole-1-carboxylate;3,5-dibromopyridine;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;6-[5-(1-methylindol-2-yl)-3-pyridinyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;1-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]indole
CID 158711045
sodium;bis(carbon dioxide);N-[4-(2,3-dibromo-1H-indol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(2,3-dibromo-1-methylindol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;hydride;methane;methanol;methyl 5-bromoindole-1-carboxylate;N-[4-(1-methylindol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;molecular bromine;naphthalen-1-ylboronic acid;4-phenyl-N-(4-phenylphenyl)aniline;tetrachloromethane
CID 158828053
sodium;bis(carbon dioxide);N-[4-(2,3-dibromo-1H-indol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(2,3-dibromo-1-methylindol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;hydride;methane;methanol;methyl 5-bromoindole-1-carboxylate;N-[4-(1-methylindol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;molecular bromine;naphthalen-1-ylboronic acid;pentane;4-phenyl-N-(4-phenylphenyl)aniline;tetrachloromethane
CID 161986688

Frequently Asked Questions

What is the IUPAC name of sodium;3-(2,3-dibromo-1H-indol-5-yl)-9-(4-phenylquinazolin-2-yl)carbazole;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;methyl 5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]boronic acid;tetrachloromethane?
The IUPAC name of sodium;3-(2,3-dibromo-1H-indol-5-yl)-9-(4-phenylquinazolin-2-yl)carbazole;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;methyl 5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]boronic acid;tetrachloromethane (CID 157134877) is sodium;3-(2,3-dibromo-1H-indol-5-yl)-9-(4-phenylquinazolin-2-yl)carbazole;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;methyl 5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]boronic acid;tetrachloromethane.
What is the SMILES notation for sodium;3-(2,3-dibromo-1H-indol-5-yl)-9-(4-phenylquinazolin-2-yl)carbazole;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;methyl 5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]boronic acid;tetrachloromethane?
The canonical SMILES for sodium;3-(2,3-dibromo-1H-indol-5-yl)-9-(4-phenylquinazolin-2-yl)carbazole;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;methyl 5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]boronic acid;tetrachloromethane is BrBr.Brc1[nH]c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)cc2c1Br.CO.COC(=O)n1c(Br)c(Br)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)ccc21.COC(=O)n1ccc2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)c4ccccc4n3)ccc21.COC(=O)n1ccc2cc(Br)ccc21.ClC(Cl)(Cl)Cl.OB(O)c1ccc2c(c1)c1ccccc1n2-c1nc(-c2ccccc2)c2ccccc2n1.OB(O)c1cccc2ccccc12.[H-].[Na+].
What is the InChIKey of sodium;3-(2,3-dibromo-1H-indol-5-yl)-9-(4-phenylquinazolin-2-yl)carbazole;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;methyl 5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]boronic acid;tetrachloromethane?
The InChIKey is RQQFRXJOJIGFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22Br2N4O2.C36H24N4O2.C34H20Br2N4.C26H18BN3O2.C10H9BO2.C10H8BrNO2.CCl4.CH4O.Br2.Na.H/c1-44-36(43)42-31-18-16-23(20-27(31)32(37)34(42)38)22-15-17-30-26(19-22)24-11-6-8-14-29(24)41(30)35-39-28-13-7-5-12-25(28)33(40-35)21-9-3-2-4-10-21;1-42-36(41)39-20-19-26-21-24(15-17-31(26)39)25-16-18-33-29(22-25)27-11-6-8-14-32(27)40(33)35-37-30-13-7-5-12-28(30)34(38-35)23-9-3-2-4-10-23;35-31-26-19-21(14-16-28(26)37-33(31)36)22-15-17-30-25(18-22)23-10-5-7-13-29(23)40(30)34-38-27-12-6-4-11-24(27)32(39-34)20-8-2-1-3-9-20;31-27(32)18-14-15-24-21(16-18)19-10-5-7-13-23(19)30(24)26-28-22-12-6-4-11-20(22)25(29-26)17-8-2-1-3-9-17;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*1-2;;/h2-20H,1H3;2-22H,1H3;1-19,37H;1-16,31-32H;1-7,12-13H;2-6H,1H3;;2H,1H3;;;/q;;;;;;;;;+1;-1.
What are the key properties of sodium;3-(2,3-dibromo-1H-indol-5-yl)-9-(4-phenylquinazolin-2-yl)carbazole;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;methyl 5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]boronic acid;tetrachloromethane?
sodium;3-(2,3-dibromo-1H-indol-5-yl)-9-(4-phenylquinazolin-2-yl)carbazole;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;methyl 5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]boronic acid;tetrachloromethane has a molecular weight of 3102.40 g/mol, XLogP of 37.43, 13 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-(2,3-dibromo-1H-indol-5-yl)-9-(4-phenylquinazolin-2-yl)carbazole;hydride;methanol;methyl 5-bromoindole-1-carboxylate;methyl 2,3-dibromo-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;methyl 5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]indole-1-carboxylate;molecular bromine;naphthalen-1-ylboronic acid;[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]boronic acid;tetrachloromethane is sourced from PubChem (CID 157134877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).