bis(3-bromo-6-(4-propoxyphenyl)-9-propylcarbazole);(4-butoxyphenyl)boronic acid;bis(3,6-dibromo-9-propylcarbazole);phenylboronic acid;bis((6-phenyl-9-propylcarbazol-3-yl)boronic acid);4-[6-(6-phenyl-9-propylcarbazol-3-yl)-9-propylcarbazol-3-yl]phenol

C178H172B4Br6N8O12 — CID 162197629

IUPACbis(3-bromo-6-(4-propoxyphenyl)-9-propylcarbazole);(4-butoxyphenyl)boronic acid;bis(3,6-dibromo-9-propylcarbazole);phenylboronic acid;bis((6-phenyl-9-propylcarbazol-3-yl)boronic acid);4-[6-(6-phenyl-9-propylcarbazol-3-yl)-9-propylcarbazol-3-yl]phenol
SMILESCCCCOc1ccc(B(O)O)cc1.CCCOc1ccc(-c2ccc3c(c2)c2cc(Br)ccc2n3CCC)cc1.CCCOc1ccc(-c2ccc3c(c2)c2cc(Br)ccc2n3CCC)cc1.CCCn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc4c(c3)c3cc(-c5ccc(O)cc5)ccc3n4CCC)ccc21.CCCn1c2ccc(B(O)O)cc2c2cc(-c3ccccc3)ccc21.CCCn1c2ccc(B(O)O)cc2c2cc(-c3ccccc3)ccc21.CCCn1c2ccc(Br)cc2c2cc(Br)ccc21.CCCn1c2ccc(Br)cc2c2cc(Br)ccc21.OB(O)c1ccccc1
InChIInChI=1S/C42H36N2O.2C24H24BrNO.2C21H20BNO2.2C15H13Br2N.C10H15BO3.C6H7BO2/c1-3-22-43-39-18-12-30(28-8-6-5-7-9-28)24-35(39)37-26-32(14-20-41(37)43)33-15-21-42-38(27-33)36-25-31(29-10-16-34(45)17-11-29)13-19-40(36)44(42)23-4-2;2*1-3-13-26-23-11-7-18(17-5-9-20(10-6-17)27-14-4-2)15-21(23)22-16-19(25)8-12-24(22)26;2*1-2-12-23-20-10-8-16(15-6-4-3-5-7-15)13-18(20)19-14-17(22(24)25)9-11-21(19)23;2*1-2-7-18-14-5-3-10(16)8-12(14)13-9-11(17)4-6-15(13)18;1-2-3-8-14-10-6-4-9(5-7-10)11(12)13;8-7(9)6-4-2-1-3-5-6/h5-21,24-27,45H,3-4,22-23H2,1-2H3;2*5-12,15-16H,3-4,13-14H2,1-2H3;2*3-11,13-14,24-25H,2,12H2,1H3;2*3-6,8-9H,2,7H2,1H3;4-7,12-13H,2-3,8H2,1H3;1-5,8-9H
InChIKeyZRDVBFKRQMPARK-UHFFFAOYSA-N
MW3138.05 g/mol
LogP44.75
Rot. Bonds37

About bis(3-bromo-6-(4-propoxyphenyl)-9-propylcarbazole);(4-butoxyphenyl)boronic acid;bis(3,6-dibromo-9-propylcarbazole);phenylboronic acid;bis((6-phenyl-9-propylcarbazol-3-yl)boronic acid);4-[6-(6-phenyl-9-propylcarbazol-3-yl)-9-propylcarbazol-3-yl]phenol

bis(3-bromo-6-(4-propoxyphenyl)-9-propylcarbazole);(4-butoxyphenyl)boronic acid;bis(3,6-dibromo-9-propylcarbazole);phenylboronic acid;bis((6-phenyl-9-propylcarbazol-3-yl)boronic acid);4-[6-(6-phenyl-9-propylcarbazol-3-yl)-9-propylcarbazol-3-yl]phenol (PubChem CID 162197629) has the molecular formula C178H172B4Br6N8O12 and a molecular weight of 3138.05 g/mol. Its IUPAC name is bis(3-bromo-6-(4-propoxyphenyl)-9-propylcarbazole);(4-butoxyphenyl)boronic acid;bis(3,6-dibromo-9-propylcarbazole);phenylboronic acid;bis((6-phenyl-9-propylcarbazol-3-yl)boronic acid);4-[6-(6-phenyl-9-propylcarbazol-3-yl)-9-propylcarbazol-3-yl]phenol.

Molecular Properties

Compound Namebis(3-bromo-6-(4-propoxyphenyl)-9-propylcarbazole);(4-butoxyphenyl)boronic acid;bis(3,6-dibromo-9-propylcarbazole);phenylboronic acid;bis((6-phenyl-9-propylcarbazol-3-yl)boronic acid);4-[6-(6-phenyl-9-propylcarbazol-3-yl)-9-propylcarbazol-3-yl]phenol
PubChem CID162197629
Molecular FormulaC178H172B4Br6N8O12
Molecular Weight3138.05 g/mol
Exact Mass3130.86
IUPAC Namebis(3-bromo-6-(4-propoxyphenyl)-9-propylcarbazole);(4-butoxyphenyl)boronic acid;bis(3,6-dibromo-9-propylcarbazole);phenylboronic acid;bis((6-phenyl-9-propylcarbazol-3-yl)boronic acid);4-[6-(6-phenyl-9-propylcarbazol-3-yl)-9-propylcarbazol-3-yl]phenol
SMILESCCCCOc1ccc(B(O)O)cc1.CCCOc1ccc(-c2ccc3c(c2)c2cc(Br)ccc2n3CCC)cc1.CCCOc1ccc(-c2ccc3c(c2)c2cc(Br)ccc2n3CCC)cc1.CCCn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc4c(c3)c3cc(-c5ccc(O)cc5)ccc3n4CCC)ccc21.CCCn1c2ccc(B(O)O)cc2c2cc(-c3ccccc3)ccc21.CCCn1c2ccc(B(O)O)cc2c2cc(-c3ccccc3)ccc21.CCCn1c2ccc(Br)cc2c2cc(Br)ccc21.CCCn1c2ccc(Br)cc2c2cc(Br)ccc21.OB(O)c1ccccc1
InChIInChI=1S/C42H36N2O.2C24H24BrNO.2C21H20BNO2.2C15H13Br2N.C10H15BO3.C6H7BO2/c1-3-22-43-39-18-12-30(28-8-6-5-7-9-28)24-35(39)37-26-32(14-20-41(37)43)33-15-21-42-38(27-33)36-25-31(29-10-16-34(45)17-11-29)13-19-40(36)44(42)23-4-2;2*1-3-13-26-23-11-7-18(17-5-9-20(10-6-17)27-14-4-2)15-21(23)22-16-19(25)8-12-24(22)26;2*1-2-12-23-20-10-8-16(15-6-4-3-5-7-15)13-18(20)19-14-17(22(24)25)9-11-21(19)23;2*1-2-7-18-14-5-3-10(16)8-12(14)13-9-11(17)4-6-15(13)18;1-2-3-8-14-10-6-4-9(5-7-10)11(12)13;8-7(9)6-4-2-1-3-5-6/h5-21,24-27,45H,3-4,22-23H2,1-2H3;2*5-12,15-16H,3-4,13-14H2,1-2H3;2*3-11,13-14,24-25H,2,12H2,1H3;2*3-6,8-9H,2,7H2,1H3;4-7,12-13H,2-3,8H2,1H3;1-5,8-9H
InChIKeyZRDVBFKRQMPARK-UHFFFAOYSA-N
XLogP44.75
TPSA249.20 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds37
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003138.05
LogP ≤ 544.75
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze bis(3-bromo-6-(4-propoxyphenyl)-9-propylcarbazole);(4-butoxyphenyl)boronic acid;bis(3,6-dibromo-9-propylcarbazole);phenylboronic acid;bis((6-phenyl-9-propylcarbazol-3-yl)boronic acid);4-[6-(6-phenyl-9-propylcarbazol-3-yl)-9-propylcarbazol-3-yl]phenol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(3-bromo-6-(4-propoxyphenyl)-9-propylcarbazole);(4-butoxyphenyl)boronic acid;bis(3,6-dibromo-9-propylcarbazole);phenylboronic acid;bis((6-phenyl-9-propylcarbazol-3-yl)boronic acid);4-[6-(6-phenyl-9-propylcarbazol-3-yl)-9-propylcarbazol-3-yl]phenol?
The IUPAC name of bis(3-bromo-6-(4-propoxyphenyl)-9-propylcarbazole);(4-butoxyphenyl)boronic acid;bis(3,6-dibromo-9-propylcarbazole);phenylboronic acid;bis((6-phenyl-9-propylcarbazol-3-yl)boronic acid);4-[6-(6-phenyl-9-propylcarbazol-3-yl)-9-propylcarbazol-3-yl]phenol (CID 162197629) is bis(3-bromo-6-(4-propoxyphenyl)-9-propylcarbazole);(4-butoxyphenyl)boronic acid;bis(3,6-dibromo-9-propylcarbazole);phenylboronic acid;bis((6-phenyl-9-propylcarbazol-3-yl)boronic acid);4-[6-(6-phenyl-9-propylcarbazol-3-yl)-9-propylcarbazol-3-yl]phenol.
What is the SMILES notation for bis(3-bromo-6-(4-propoxyphenyl)-9-propylcarbazole);(4-butoxyphenyl)boronic acid;bis(3,6-dibromo-9-propylcarbazole);phenylboronic acid;bis((6-phenyl-9-propylcarbazol-3-yl)boronic acid);4-[6-(6-phenyl-9-propylcarbazol-3-yl)-9-propylcarbazol-3-yl]phenol?
The canonical SMILES for bis(3-bromo-6-(4-propoxyphenyl)-9-propylcarbazole);(4-butoxyphenyl)boronic acid;bis(3,6-dibromo-9-propylcarbazole);phenylboronic acid;bis((6-phenyl-9-propylcarbazol-3-yl)boronic acid);4-[6-(6-phenyl-9-propylcarbazol-3-yl)-9-propylcarbazol-3-yl]phenol is CCCCOc1ccc(B(O)O)cc1.CCCOc1ccc(-c2ccc3c(c2)c2cc(Br)ccc2n3CCC)cc1.CCCOc1ccc(-c2ccc3c(c2)c2cc(Br)ccc2n3CCC)cc1.CCCn1c2ccc(-c3ccccc3)cc2c2cc(-c3ccc4c(c3)c3cc(-c5ccc(O)cc5)ccc3n4CCC)ccc21.CCCn1c2ccc(B(O)O)cc2c2cc(-c3ccccc3)ccc21.CCCn1c2ccc(B(O)O)cc2c2cc(-c3ccccc3)ccc21.CCCn1c2ccc(Br)cc2c2cc(Br)ccc21.CCCn1c2ccc(Br)cc2c2cc(Br)ccc21.OB(O)c1ccccc1.
What is the InChIKey of bis(3-bromo-6-(4-propoxyphenyl)-9-propylcarbazole);(4-butoxyphenyl)boronic acid;bis(3,6-dibromo-9-propylcarbazole);phenylboronic acid;bis((6-phenyl-9-propylcarbazol-3-yl)boronic acid);4-[6-(6-phenyl-9-propylcarbazol-3-yl)-9-propylcarbazol-3-yl]phenol?
The InChIKey is ZRDVBFKRQMPARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N2O.2C24H24BrNO.2C21H20BNO2.2C15H13Br2N.C10H15BO3.C6H7BO2/c1-3-22-43-39-18-12-30(28-8-6-5-7-9-28)24-35(39)37-26-32(14-20-41(37)43)33-15-21-42-38(27-33)36-25-31(29-10-16-34(45)17-11-29)13-19-40(36)44(42)23-4-2;2*1-3-13-26-23-11-7-18(17-5-9-20(10-6-17)27-14-4-2)15-21(23)22-16-19(25)8-12-24(22)26;2*1-2-12-23-20-10-8-16(15-6-4-3-5-7-15)13-18(20)19-14-17(22(24)25)9-11-21(19)23;2*1-2-7-18-14-5-3-10(16)8-12(14)13-9-11(17)4-6-15(13)18;1-2-3-8-14-10-6-4-9(5-7-10)11(12)13;8-7(9)6-4-2-1-3-5-6/h5-21,24-27,45H,3-4,22-23H2,1-2H3;2*5-12,15-16H,3-4,13-14H2,1-2H3;2*3-11,13-14,24-25H,2,12H2,1H3;2*3-6,8-9H,2,7H2,1H3;4-7,12-13H,2-3,8H2,1H3;1-5,8-9H.
What are the key properties of bis(3-bromo-6-(4-propoxyphenyl)-9-propylcarbazole);(4-butoxyphenyl)boronic acid;bis(3,6-dibromo-9-propylcarbazole);phenylboronic acid;bis((6-phenyl-9-propylcarbazol-3-yl)boronic acid);4-[6-(6-phenyl-9-propylcarbazol-3-yl)-9-propylcarbazol-3-yl]phenol?
bis(3-bromo-6-(4-propoxyphenyl)-9-propylcarbazole);(4-butoxyphenyl)boronic acid;bis(3,6-dibromo-9-propylcarbazole);phenylboronic acid;bis((6-phenyl-9-propylcarbazol-3-yl)boronic acid);4-[6-(6-phenyl-9-propylcarbazol-3-yl)-9-propylcarbazol-3-yl]phenol has a molecular weight of 3138.05 g/mol, XLogP of 44.75, 37 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-bromo-6-(4-propoxyphenyl)-9-propylcarbazole);(4-butoxyphenyl)boronic acid;bis(3,6-dibromo-9-propylcarbazole);phenylboronic acid;bis((6-phenyl-9-propylcarbazol-3-yl)boronic acid);4-[6-(6-phenyl-9-propylcarbazol-3-yl)-9-propylcarbazol-3-yl]phenol is sourced from PubChem (CID 162197629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).