7-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole

C34H19N3O2 — CID 130333880

IUPAC7-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C34H19N3O2/c1-2-10-20(11-3-1)31-33-32(23-14-6-9-17-29(23)39-33)36-34(35-31)37-26-15-7-4-12-21(26)24-18-25-22-13-5-8-16-28(22)38-30(25)19-27(24)37/h1-19H
InChIKeyUCUVBOQAJDJPMA-UHFFFAOYSA-N
MW501.55 g/mol
LogP9.04
Rot. Bonds2

About 7-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole

7-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 130333880) has the molecular formula C34H19N3O2 and a molecular weight of 501.55 g/mol. Its IUPAC name is 7-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID130333880
Molecular FormulaC34H19N3O2
Molecular Weight501.55 g/mol
Exact Mass501.15
IUPAC Name7-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C34H19N3O2/c1-2-10-20(11-3-1)31-33-32(23-14-6-9-17-29(23)39-33)36-34(35-31)37-26-15-7-4-12-21(26)24-18-25-22-13-5-8-16-28(22)38-30(25)19-27(24)37/h1-19H
InChIKeyUCUVBOQAJDJPMA-UHFFFAOYSA-N
XLogP9.04
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.55
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzo[b]carbazol-5-yl-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 137433546
2-(1,28-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.021,29.022,27]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22,24,26,29-pentadecaen-28-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 167185289
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
2,8-di(carbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 134394265
4-phenyl-2-(3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-20-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 146300923
7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 70851639
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 130333882
7-(15-phenyl-17-thia-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-13-yl)-[1]benzofuro[2,3-b]carbazole
CID 171050951
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
6-carbazol-9-yl-8-phenyl-10,14-dithia-5,7-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene;6-carbazol-9-yl-8-phenyl-10-oxa-14-thia-5,7-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene;6-carbazol-9-yl-8-phenyl-14-oxa-10-thia-5,7-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 157393597
2-([1]benzothiolo[3,2-b]carbazol-11-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 129225033
4-(2-carbazol-9-ylphenyl)-2-(3,6-diphenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 177271581

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole (CID 130333880) is 7-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)nc3c2oc2ccccc23)cc1.
What is the InChIKey of 7-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is UCUVBOQAJDJPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N3O2/c1-2-10-20(11-3-1)31-33-32(23-14-6-9-17-29(23)39-33)36-34(35-31)37-26-15-7-4-12-21(26)24-18-25-22-13-5-8-16-28(22)38-30(25)19-27(24)37/h1-19H.
What are the key properties of 7-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole?
7-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 501.55 g/mol, XLogP of 9.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 130333880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).