9-phenyl-3-[9-[3-(2-phenyl-1,5-naphthyridin-4-yl)phenyl]dibenzofuran-2-yl]carbazole

C50H31N3O — CID 134594841

IUPAC9-phenyl-3-[9-[3-(2-phenyl-1,5-naphthyridin-4-yl)phenyl]dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c45)c3)c3ncccc3n2)cc1
InChIInChI=1S/C50H31N3O/c1-3-12-32(13-4-1)44-31-40(50-43(52-44)20-11-27-51-50)36-15-9-14-35(28-36)38-19-10-22-48-49(38)42-30-34(24-26-47(42)54-48)33-23-25-46-41(29-33)39-18-7-8-21-45(39)53(46)37-16-5-2-6-17-37/h1-31H
InChIKeyNGCCPYPKLRWURN-UHFFFAOYSA-N
MW689.82 g/mol
LogP13.29
Rot. Bonds5

About 9-phenyl-3-[9-[3-(2-phenyl-1,5-naphthyridin-4-yl)phenyl]dibenzofuran-2-yl]carbazole

9-phenyl-3-[9-[3-(2-phenyl-1,5-naphthyridin-4-yl)phenyl]dibenzofuran-2-yl]carbazole (PubChem CID 134594841) has the molecular formula C50H31N3O and a molecular weight of 689.82 g/mol. Its IUPAC name is 9-phenyl-3-[9-[3-(2-phenyl-1,5-naphthyridin-4-yl)phenyl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[9-[3-(2-phenyl-1,5-naphthyridin-4-yl)phenyl]dibenzofuran-2-yl]carbazole
PubChem CID134594841
Molecular FormulaC50H31N3O
Molecular Weight689.82 g/mol
Exact Mass689.25
IUPAC Name9-phenyl-3-[9-[3-(2-phenyl-1,5-naphthyridin-4-yl)phenyl]dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c45)c3)c3ncccc3n2)cc1
InChIInChI=1S/C50H31N3O/c1-3-12-32(13-4-1)44-31-40(50-43(52-44)20-11-27-51-50)36-15-9-14-35(28-36)38-19-10-22-48-49(38)42-30-34(24-26-47(42)54-48)33-23-25-46-41(29-33)39-18-7-8-21-45(39)53(46)37-16-5-2-6-17-37/h1-31H
InChIKeyNGCCPYPKLRWURN-UHFFFAOYSA-N
XLogP13.29
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.82
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(6-phenyl-1,7-naphthyridin-8-yl)carbazole
CID 138475156
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole
CID 138475094
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 129292083
3-[5-(4-dibenzofuran-1-yl-1,5-naphthyridin-2-yl)-9,9-dimethylfluoren-2-yl]-9-phenylcarbazole
CID 126536598
9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole
CID 134594831
4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 168826414
2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole
CID 138475052
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
8-[3-[6-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-9-phenylcarbazol-3-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265787
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[9-[3-(2-phenyl-1,5-naphthyridin-4-yl)phenyl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-phenyl-3-[9-[3-(2-phenyl-1,5-naphthyridin-4-yl)phenyl]dibenzofuran-2-yl]carbazole (CID 134594841) is 9-phenyl-3-[9-[3-(2-phenyl-1,5-naphthyridin-4-yl)phenyl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[9-[3-(2-phenyl-1,5-naphthyridin-4-yl)phenyl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[9-[3-(2-phenyl-1,5-naphthyridin-4-yl)phenyl]dibenzofuran-2-yl]carbazole is c1ccc(-c2cc(-c3cccc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c45)c3)c3ncccc3n2)cc1.
What is the InChIKey of 9-phenyl-3-[9-[3-(2-phenyl-1,5-naphthyridin-4-yl)phenyl]dibenzofuran-2-yl]carbazole?
The InChIKey is NGCCPYPKLRWURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3O/c1-3-12-32(13-4-1)44-31-40(50-43(52-44)20-11-27-51-50)36-15-9-14-35(28-36)38-19-10-22-48-49(38)42-30-34(24-26-47(42)54-48)33-23-25-46-41(29-33)39-18-7-8-21-45(39)53(46)37-16-5-2-6-17-37/h1-31H.
What are the key properties of 9-phenyl-3-[9-[3-(2-phenyl-1,5-naphthyridin-4-yl)phenyl]dibenzofuran-2-yl]carbazole?
9-phenyl-3-[9-[3-(2-phenyl-1,5-naphthyridin-4-yl)phenyl]dibenzofuran-2-yl]carbazole has a molecular weight of 689.82 g/mol, XLogP of 13.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[9-[3-(2-phenyl-1,5-naphthyridin-4-yl)phenyl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 134594841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).