2-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine

C28H17N3O — CID 118232443

IUPAC2-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc2c(c1)oc1nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ncc12
InChIInChI=1S/C28H17N3O/c1-4-10-24-20(7-1)21-8-2-5-11-25(21)31(24)19-15-13-18(14-16-19)27-29-17-23-22-9-3-6-12-26(22)32-28(23)30-27/h1-17H
InChIKeySFBNRJSZEHFJTN-UHFFFAOYSA-N
MW411.46 g/mol
LogP7.14
Rot. Bonds2

About 2-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine

2-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 118232443) has the molecular formula C28H17N3O and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine
PubChem CID118232443
Molecular FormulaC28H17N3O
Molecular Weight411.46 g/mol
Exact Mass411.14
IUPAC Name2-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc2c(c1)oc1nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ncc12
InChIInChI=1S/C28H17N3O/c1-4-10-24-20(7-1)21-8-2-5-11-25(21)31(24)19-15-13-18(14-16-19)27-29-17-23-22-9-3-6-12-26(22)32-28(23)30-27/h1-17H
InChIKeySFBNRJSZEHFJTN-UHFFFAOYSA-N
XLogP7.14
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 122471174
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747351
2-dibenzofuran-3-yl-9-[4-[4-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126631913
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149414
10-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]acridin-9-one
CID 130353952
[4-[4-(4-carbazol-9-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 176722255
4-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-(3-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 162774812
3-dibenzofuran-2-yl-9-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 126632003
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 160917779
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
[4-[4-(4-carbazol-9-ylphenyl)-6-(3-dibenzofuran-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 176722200

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine (CID 118232443) is 2-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine is c1ccc2c(c1)oc1nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ncc12.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is SFBNRJSZEHFJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N3O/c1-4-10-24-20(7-1)21-8-2-5-11-25(21)31(24)19-15-13-18(14-16-19)27-29-17-23-22-9-3-6-12-26(22)32-28(23)30-27/h1-17H.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine?
2-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 411.46 g/mol, XLogP of 7.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 118232443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).