4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine

C45H28N4O — CID 134316067

IUPAC4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccnc5c4oc4ccccc45)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C45H28N4O/c1-3-13-29(14-4-1)38-28-39(30-15-5-2-6-16-30)48-45(47-38)32-25-31(34-23-24-46-43-37-19-9-12-22-42(37)50-44(34)43)26-33(27-32)49-40-20-10-7-17-35(40)36-18-8-11-21-41(36)49/h1-28H
InChIKeyIUJMFIJEXDJKTM-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

About 4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine

4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 134316067) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID134316067
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccnc5c4oc4ccccc45)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C45H28N4O/c1-3-13-29(14-4-1)38-28-39(30-15-5-2-6-16-30)48-45(47-38)32-25-31(34-23-24-46-43-37-19-9-12-22-42(37)50-44(34)43)26-33(27-32)49-40-20-10-7-17-35(40)36-18-8-11-21-41(36)49/h1-28H
InChIKeyIUJMFIJEXDJKTM-UHFFFAOYSA-N
XLogP11.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[3-carbazol-9-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;4-[3-carbazol-9-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 159836909
4-[3-carbazol-9-yl-5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;4-[3-carbazol-9-yl-5-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;4-[3-carbazol-9-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 159713948
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336371
4-[3-[2-(1,8a-dihydronaphthalen-2-yl)-6-phenylpyrimidin-4-yl]-5-carbazol-9-ylphenyl]-[1]benzofuro[3,2-b]pyridine
CID 134316377
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole
CID 118922865
4-[3-naphthalen-2-yl-5-[4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 139406317
2-(3-carbazol-9-ylphenyl)-4-phenyl-[1]benzofuro[3,2-b]pyridine
CID 122693010
4-[3-([1]benzofuro[3,2-b]pyridin-4-yl)-5-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336336
9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[6-[3,5-di(carbazol-9-yl)phenyl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 163999245
9-[3-[2-[4-(3-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]phenyl]carbazole;4-(3-dibenzofuran-4-ylphenyl)-2-[4-(3-dibenzofuran-4-ylphenyl)-2-pyridinyl]pyridine;4,7-diphenyl-1,10-phenanthroline
CID 158982958
9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]carbazole;9-[5-(3-dibenzofuran-4-yl-5-phenylphenyl)pyrimidin-2-yl]carbazole;9-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;4-[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;6-[6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-c]pyridine
CID 163961841
8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine;4-[4-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole
CID 159068454

Frequently Asked Questions

What is the IUPAC name of 4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine (CID 134316067) is 4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccnc5c4oc4ccccc45)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.
What is the InChIKey of 4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is IUJMFIJEXDJKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-3-13-29(14-4-1)38-28-39(30-15-5-2-6-16-30)48-45(47-38)32-25-31(34-23-24-46-43-37-19-9-12-22-42(37)50-44(34)43)26-33(27-32)49-40-20-10-7-17-35(40)36-18-8-11-21-41(36)49/h1-28H.
What are the key properties of 4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 640.75 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 134316067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).