3-(4b-methyl-9-phenyl-5H-carbazol-2-yl)-9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazole

C53H36N2O — CID 144963729

IUPAC3-(4b-methyl-9-phenyl-5H-carbazol-2-yl)-9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazole
SMILESCC12CC=CC=C1N(c1ccccc1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc(-c5cccc6c5oc5ccccc56)ccc4c3)ccc12
InChIInChI=1S/C53H36N2O/c1-53-29-10-9-20-51(53)55(39-12-3-2-4-13-39)49-33-37(24-27-46(49)53)36-25-28-48-45(32-36)42-14-5-7-18-47(42)54(48)40-26-23-34-30-38(22-21-35(34)31-40)41-16-11-17-44-43-15-6-8-19-50(43)56-52(41)44/h2-28,30-33H,29H2,1H3
InChIKeyGKZUPIUZDZQUOG-UHFFFAOYSA-N
MW716.88 g/mol
LogP14.42
Rot. Bonds4

About 3-(4b-methyl-9-phenyl-5H-carbazol-2-yl)-9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazole

3-(4b-methyl-9-phenyl-5H-carbazol-2-yl)-9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazole (PubChem CID 144963729) has the molecular formula C53H36N2O and a molecular weight of 716.88 g/mol. Its IUPAC name is 3-(4b-methyl-9-phenyl-5H-carbazol-2-yl)-9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazole.

Molecular Properties

Compound Name3-(4b-methyl-9-phenyl-5H-carbazol-2-yl)-9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazole
PubChem CID144963729
Molecular FormulaC53H36N2O
Molecular Weight716.88 g/mol
Exact Mass716.28
IUPAC Name3-(4b-methyl-9-phenyl-5H-carbazol-2-yl)-9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazole
SMILESCC12CC=CC=C1N(c1ccccc1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc(-c5cccc6c5oc5ccccc56)ccc4c3)ccc12
InChIInChI=1S/C53H36N2O/c1-53-29-10-9-20-51(53)55(39-12-3-2-4-13-39)49-33-37(24-27-46(49)53)36-25-28-48-45(32-36)42-14-5-7-18-47(42)54(48)40-26-23-34-30-38(22-21-35(34)31-40)41-16-11-17-44-43-15-6-8-19-50(43)56-52(41)44/h2-28,30-33H,29H2,1H3
InChIKeyGKZUPIUZDZQUOG-UHFFFAOYSA-N
XLogP14.42
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.88
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 161417407
3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 155305912
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
6-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-2-[6-[9-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazol-2-yl]dibenzofuran-3-yl]-9-(4-naphthalen-2-ylphenyl)carbazole
CID 156576285
6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 126682058
3-dibenzofuran-2-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-3-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 163485111
5-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-3,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-11-naphthalen-2-ylindolo[3,2-b]carbazole
CID 159976213
3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-2-ylphenyl)carbazole
CID 142356877
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296

Frequently Asked Questions

What is the IUPAC name of 3-(4b-methyl-9-phenyl-5H-carbazol-2-yl)-9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazole?
The IUPAC name of 3-(4b-methyl-9-phenyl-5H-carbazol-2-yl)-9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazole (CID 144963729) is 3-(4b-methyl-9-phenyl-5H-carbazol-2-yl)-9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazole.
What is the SMILES notation for 3-(4b-methyl-9-phenyl-5H-carbazol-2-yl)-9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazole?
The canonical SMILES for 3-(4b-methyl-9-phenyl-5H-carbazol-2-yl)-9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazole is CC12CC=CC=C1N(c1ccccc1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4cc(-c5cccc6c5oc5ccccc56)ccc4c3)ccc12.
What is the InChIKey of 3-(4b-methyl-9-phenyl-5H-carbazol-2-yl)-9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazole?
The InChIKey is GKZUPIUZDZQUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2O/c1-53-29-10-9-20-51(53)55(39-12-3-2-4-13-39)49-33-37(24-27-46(49)53)36-25-28-48-45(32-36)42-14-5-7-18-47(42)54(48)40-26-23-34-30-38(22-21-35(34)31-40)41-16-11-17-44-43-15-6-8-19-50(43)56-52(41)44/h2-28,30-33H,29H2,1H3.
What are the key properties of 3-(4b-methyl-9-phenyl-5H-carbazol-2-yl)-9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazole?
3-(4b-methyl-9-phenyl-5H-carbazol-2-yl)-9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazole has a molecular weight of 716.88 g/mol, XLogP of 14.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4b-methyl-9-phenyl-5H-carbazol-2-yl)-9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazole is sourced from PubChem (CID 144963729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).