9-[3-carbazol-9-yl-5-[8-(2-methoxybutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methoxybutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole

C80H64N6O3 — CID 91132864

IUPAC9-[3-carbazol-9-yl-5-[8-(2-methoxybutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methoxybutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
SMILESCCC(Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1)OC.CCC(Cc1ccc2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c2c1)OC
InChIInChI=1S/C47H36N2O2.C33H28N4O/c1-3-35(50-2)24-30-20-22-46-40(25-30)41-28-31(21-23-47(41)51-46)32-26-33(48-42-16-8-4-12-36(42)37-13-5-9-17-43(37)48)29-34(27-32)49-44-18-10-6-14-38(44)39-15-7-11-19-45(39)49;1-3-25(38-2)20-22-18-23(36-28-12-6-4-10-26(28)32-30(36)14-8-16-34-32)21-24(19-22)37-29-13-7-5-11-27(29)33-31(37)15-9-17-35-33/h4-23,25-29,35H,3,24H2,1-2H3;4-19,21,25H,3,20H2,1-2H3
InChIKeyNNABUKIZBOYFPH-UHFFFAOYSA-N
MW1157.43 g/mol
LogP20.05
Rot. Bonds13

About 9-[3-carbazol-9-yl-5-[8-(2-methoxybutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methoxybutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole

9-[3-carbazol-9-yl-5-[8-(2-methoxybutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methoxybutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (PubChem CID 91132864) has the molecular formula C80H64N6O3 and a molecular weight of 1157.43 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[8-(2-methoxybutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methoxybutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[8-(2-methoxybutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methoxybutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
PubChem CID91132864
Molecular FormulaC80H64N6O3
Molecular Weight1157.43 g/mol
Exact Mass1156.50
IUPAC Name9-[3-carbazol-9-yl-5-[8-(2-methoxybutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methoxybutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
SMILESCCC(Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1)OC.CCC(Cc1ccc2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c2c1)OC
InChIInChI=1S/C47H36N2O2.C33H28N4O/c1-3-35(50-2)24-30-20-22-46-40(25-30)41-28-31(21-23-47(41)51-46)32-26-33(48-42-16-8-4-12-36(42)37-13-5-9-17-43(37)48)29-34(27-32)49-44-18-10-6-14-38(44)39-15-7-11-19-45(39)49;1-3-25(38-2)20-22-18-23(36-28-12-6-4-10-26(28)32-30(36)14-8-16-34-32)21-24(19-22)37-29-13-7-5-11-27(29)33-31(37)15-9-17-35-33/h4-23,25-29,35H,3,24H2,1-2H3;4-19,21,25H,3,20H2,1-2H3
InChIKeyNNABUKIZBOYFPH-UHFFFAOYSA-N
XLogP20.05
TPSA77.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001157.43
LogP ≤ 520.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[3-carbazol-9-yl-5-[8-(2-methoxybutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methoxybutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[8-(2-methoxybutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methoxybutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The IUPAC name of 9-[3-carbazol-9-yl-5-[8-(2-methoxybutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methoxybutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (CID 91132864) is 9-[3-carbazol-9-yl-5-[8-(2-methoxybutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methoxybutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[8-(2-methoxybutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methoxybutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[8-(2-methoxybutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methoxybutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is CCC(Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1)OC.CCC(Cc1ccc2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c2c1)OC.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[8-(2-methoxybutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methoxybutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The InChIKey is NNABUKIZBOYFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N2O2.C33H28N4O/c1-3-35(50-2)24-30-20-22-46-40(25-30)41-28-31(21-23-47(41)51-46)32-26-33(48-42-16-8-4-12-36(42)37-13-5-9-17-43(37)48)29-34(27-32)49-44-18-10-6-14-38(44)39-15-7-11-19-45(39)49;1-3-25(38-2)20-22-18-23(36-28-12-6-4-10-26(28)32-30(36)14-8-16-34-32)21-24(19-22)37-29-13-7-5-11-27(29)33-31(37)15-9-17-35-33/h4-23,25-29,35H,3,24H2,1-2H3;4-19,21,25H,3,20H2,1-2H3.
What are the key properties of 9-[3-carbazol-9-yl-5-[8-(2-methoxybutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methoxybutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
9-[3-carbazol-9-yl-5-[8-(2-methoxybutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methoxybutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole has a molecular weight of 1157.43 g/mol, XLogP of 20.05, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[8-(2-methoxybutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methoxybutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 91132864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).