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

C80H64N6O — CID 90983508

IUPAC9-[3-carbazol-9-yl-5-[8-(2-methylbutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methylbutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
SMILESCCC(C)Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1.CCC(C)Cc1ccc2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c2c1
InChIInChI=1S/C47H36N2O.C33H28N4/c1-3-30(2)24-31-20-22-46-40(25-31)41-28-32(21-23-47(41)50-46)33-26-34(48-42-16-8-4-12-36(42)37-13-5-9-17-43(37)48)29-35(27-33)49-44-18-10-6-14-38(44)39-15-7-11-19-45(39)49;1-3-22(2)18-23-19-24(36-28-12-6-4-10-26(28)32-30(36)14-8-16-34-32)21-25(20-23)37-29-13-7-5-11-27(29)33-31(37)15-9-17-35-33/h4-23,25-30H,3,24H2,1-2H3;4-17,19-22H,3,18H2,1-2H3
InChIKeyLYMRHMHSZMLMPD-UHFFFAOYSA-N
MW1125.43 g/mol
LogP21.30
Rot. Bonds11

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

9-[3-carbazol-9-yl-5-[8-(2-methylbutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methylbutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (PubChem CID 90983508) has the molecular formula C80H64N6O and a molecular weight of 1125.43 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[8-(2-methylbutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methylbutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[8-(2-methylbutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methylbutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
PubChem CID90983508
Molecular FormulaC80H64N6O
Molecular Weight1125.43 g/mol
Exact Mass1124.51
IUPAC Name9-[3-carbazol-9-yl-5-[8-(2-methylbutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methylbutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
SMILESCCC(C)Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1.CCC(C)Cc1ccc2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c2c1
InChIInChI=1S/C47H36N2O.C33H28N4/c1-3-30(2)24-31-20-22-46-40(25-31)41-28-32(21-23-47(41)50-46)33-26-34(48-42-16-8-4-12-36(42)37-13-5-9-17-43(37)48)29-35(27-33)49-44-18-10-6-14-38(44)39-15-7-11-19-45(39)49;1-3-22(2)18-23-19-24(36-28-12-6-4-10-26(28)32-30(36)14-8-16-34-32)21-25(20-23)37-29-13-7-5-11-27(29)33-31(37)15-9-17-35-33/h4-23,25-30H,3,24H2,1-2H3;4-17,19-22H,3,18H2,1-2H3
InChIKeyLYMRHMHSZMLMPD-UHFFFAOYSA-N
XLogP21.30
TPSA58.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.43
LogP ≤ 521.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[3-carbazol-9-yl-5-[8-(2-methylbutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methylbutyl)-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-methylbutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methylbutyl)-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-methylbutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methylbutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole (CID 90983508) is 9-[3-carbazol-9-yl-5-[8-(2-methylbutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methylbutyl)-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-methylbutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methylbutyl)-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-methylbutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methylbutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is CCC(C)Cc1cc(-n2c3ccccc3c3ncccc32)cc(-n2c3ccccc3c3ncccc32)c1.CCC(C)Cc1ccc2oc3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc3c2c1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[8-(2-methylbutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methylbutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
The InChIKey is LYMRHMHSZMLMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N2O.C33H28N4/c1-3-30(2)24-31-20-22-46-40(25-31)41-28-32(21-23-47(41)50-46)33-26-34(48-42-16-8-4-12-36(42)37-13-5-9-17-43(37)48)29-35(27-33)49-44-18-10-6-14-38(44)39-15-7-11-19-45(39)49;1-3-22(2)18-23-19-24(36-28-12-6-4-10-26(28)32-30(36)14-8-16-34-32)21-25(20-23)37-29-13-7-5-11-27(29)33-31(37)15-9-17-35-33/h4-23,25-30H,3,24H2,1-2H3;4-17,19-22H,3,18H2,1-2H3.
What are the key properties of 9-[3-carbazol-9-yl-5-[8-(2-methylbutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methylbutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole?
9-[3-carbazol-9-yl-5-[8-(2-methylbutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methylbutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole has a molecular weight of 1125.43 g/mol, XLogP of 21.30, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[8-(2-methylbutyl)dibenzofuran-2-yl]phenyl]carbazole;5-[3-(2-methylbutyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 90983508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).