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

C40H23N3O2 — CID 130334153

IUPAC7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c3c(n2)oc2ccccc23)cc1
InChIInChI=1S/C40H23N3O2/c1-2-12-24(13-3-1)39-41-38(37-28-17-7-11-21-35(28)45-40(37)42-39)27-16-5-9-19-32(27)43-31-18-8-4-14-25(31)29-22-30-26-15-6-10-20-34(26)44-36(30)23-33(29)43/h1-23H
InChIKeyHPJTUYKWDJOVHZ-UHFFFAOYSA-N
MW577.64 g/mol
LogP10.71
Rot. Bonds3

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

7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 130334153) has the molecular formula C40H23N3O2 and a molecular weight of 577.64 g/mol. Its IUPAC name is 7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
PubChem CID130334153
Molecular FormulaC40H23N3O2
Molecular Weight577.64 g/mol
Exact Mass577.18
IUPAC Name7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c3c(n2)oc2ccccc23)cc1
InChIInChI=1S/C40H23N3O2/c1-2-12-24(13-3-1)39-41-38(37-28-17-7-11-21-35(28)45-40(37)42-39)27-16-5-9-19-32(27)43-31-18-8-4-14-25(31)29-22-30-26-15-6-10-20-34(26)44-36(30)23-33(29)43/h1-23H
InChIKeyHPJTUYKWDJOVHZ-UHFFFAOYSA-N
XLogP10.71
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.64
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 164955673
14-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 130334250
7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 130333597
2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130333600
11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 130334516
11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 140805704
11-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 164932870
7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole
CID 154947939
5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170542552
4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130334302
11-[2-(2,5,5-triphenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 140805133
2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 174312040

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole (CID 130334153) is 7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)oc3ccccc35)c3c(n2)oc2ccccc23)cc1.
What is the InChIKey of 7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is HPJTUYKWDJOVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3O2/c1-2-12-24(13-3-1)39-41-38(37-28-17-7-11-21-35(28)45-40(37)42-39)27-16-5-9-19-32(27)43-31-18-8-4-14-25(31)29-22-30-26-15-6-10-20-34(26)44-36(30)23-33(29)43/h1-23H.
What are the key properties of 7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 577.64 g/mol, XLogP of 10.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 130334153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).