7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole

C34H21N3O — CID 70851639

IUPAC7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)n2)cc1
InChIInChI=1S/C34H21N3O/c1-3-11-22(12-4-1)28-20-29(23-13-5-2-6-14-23)36-34(35-28)37-30-17-9-7-15-24(30)26-19-27-25-16-8-10-18-32(25)38-33(27)21-31(26)37/h1-21H
InChIKeyPFQYDGYDUQDQHO-UHFFFAOYSA-N
MW487.56 g/mol
LogP8.81
Rot. Bonds3

About 7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole

7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 70851639) has the molecular formula C34H21N3O and a molecular weight of 487.56 g/mol. Its IUPAC name is 7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID70851639
Molecular FormulaC34H21N3O
Molecular Weight487.56 g/mol
Exact Mass487.17
IUPAC Name7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)n2)cc1
InChIInChI=1S/C34H21N3O/c1-3-11-22(12-4-1)28-20-29(23-13-5-2-6-14-23)36-34(35-28)37-30-17-9-7-15-24(30)26-19-27-25-16-8-10-18-32(25)38-33(27)21-31(26)37/h1-21H
InChIKeyPFQYDGYDUQDQHO-UHFFFAOYSA-N
XLogP8.81
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

19-(4,6-diphenylpyrimidin-2-yl)-10,15-dioxa-19-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
CID 118301346
3-dibenzofuran-2-yl-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole
CID 163626219
3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118503233
7-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 134237088
7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126632681
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,18-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 118301187
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
19-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 140957360
[11-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[3,2-b]carbazol-8-yl]-triphenylsilane
CID 140775802
7-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 130333880
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-10-yl)-7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223402
15-phenyl-19-(4-phenylquinazolin-2-yl)-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 129142011

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole (CID 70851639) is 7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)n2)cc1.
What is the InChIKey of 7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is PFQYDGYDUQDQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3O/c1-3-11-22(12-4-1)28-20-29(23-13-5-2-6-14-23)36-34(35-28)37-30-17-9-7-15-24(30)26-19-27-25-16-8-10-18-32(25)38-33(27)21-31(26)37/h1-21H.
What are the key properties of 7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole?
7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 487.56 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 70851639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).