3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(6-phenyl-1,7-naphthyridin-8-yl)carbazole

C56H34N4O — CID 138475156

IUPAC3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(6-phenyl-1,7-naphthyridin-8-yl)carbazole
SMILESc1ccc(-c2cc3cccnc3c(-n3c4ccccc4c4cc(-c5cccc6oc7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c56)ccc43)n2)cc1
InChIInChI=1S/C56H34N4O/c1-3-13-35(14-4-1)47-34-39-15-12-30-57-55(39)56(58-47)60-49-22-10-8-19-43(49)45-33-38(25-28-51(45)60)41-20-11-23-53-54(41)46-32-37(26-29-52(46)61-53)36-24-27-50-44(31-36)42-18-7-9-21-48(42)59(50)40-16-5-2-6-17-40/h1-34H
InChIKeyWBUZXQCZZDAJPX-UHFFFAOYSA-N
MW778.92 g/mol
LogP14.72
Rot. Bonds5

About 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(6-phenyl-1,7-naphthyridin-8-yl)carbazole

3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(6-phenyl-1,7-naphthyridin-8-yl)carbazole (PubChem CID 138475156) has the molecular formula C56H34N4O and a molecular weight of 778.92 g/mol. Its IUPAC name is 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(6-phenyl-1,7-naphthyridin-8-yl)carbazole.

Molecular Properties

Compound Name3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(6-phenyl-1,7-naphthyridin-8-yl)carbazole
PubChem CID138475156
Molecular FormulaC56H34N4O
Molecular Weight778.92 g/mol
Exact Mass778.27
IUPAC Name3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(6-phenyl-1,7-naphthyridin-8-yl)carbazole
SMILESc1ccc(-c2cc3cccnc3c(-n3c4ccccc4c4cc(-c5cccc6oc7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c56)ccc43)n2)cc1
InChIInChI=1S/C56H34N4O/c1-3-13-35(14-4-1)47-34-39-15-12-30-57-55(39)56(58-47)60-49-22-10-8-19-43(49)45-33-38(25-28-51(45)60)41-20-11-23-53-54(41)46-32-37(26-29-52(46)61-53)36-24-27-50-44(31-36)42-18-7-9-21-48(42)59(50)40-16-5-2-6-17-40/h1-34H
InChIKeyWBUZXQCZZDAJPX-UHFFFAOYSA-N
XLogP14.72
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.92
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-3-[9-[3-(2-phenyl-1,5-naphthyridin-4-yl)phenyl]dibenzofuran-2-yl]carbazole
CID 134594841
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
CID 138475173
3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 129292083
2-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475085
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole
CID 138475094
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 168826414
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-[8-(5-phenylpyrido[4,3-b]indol-8-yl)dibenzofuran-1-yl]pyrido[3,2-b]indole
CID 154606133
3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole
CID 138475052
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060

Frequently Asked Questions

What is the IUPAC name of 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(6-phenyl-1,7-naphthyridin-8-yl)carbazole?
The IUPAC name of 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(6-phenyl-1,7-naphthyridin-8-yl)carbazole (CID 138475156) is 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(6-phenyl-1,7-naphthyridin-8-yl)carbazole.
What is the SMILES notation for 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(6-phenyl-1,7-naphthyridin-8-yl)carbazole?
The canonical SMILES for 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(6-phenyl-1,7-naphthyridin-8-yl)carbazole is c1ccc(-c2cc3cccnc3c(-n3c4ccccc4c4cc(-c5cccc6oc7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c56)ccc43)n2)cc1.
What is the InChIKey of 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(6-phenyl-1,7-naphthyridin-8-yl)carbazole?
The InChIKey is WBUZXQCZZDAJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O/c1-3-13-35(14-4-1)47-34-39-15-12-30-57-55(39)56(58-47)60-49-22-10-8-19-43(49)45-33-38(25-28-51(45)60)41-20-11-23-53-54(41)46-32-37(26-29-52(46)61-53)36-24-27-50-44(31-36)42-18-7-9-21-48(42)59(50)40-16-5-2-6-17-40/h1-34H.
What are the key properties of 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(6-phenyl-1,7-naphthyridin-8-yl)carbazole?
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(6-phenyl-1,7-naphthyridin-8-yl)carbazole has a molecular weight of 778.92 g/mol, XLogP of 14.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(6-phenyl-1,7-naphthyridin-8-yl)carbazole is sourced from PubChem (CID 138475156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).