6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine

C32H19N5O — CID 142336416

IUPAC6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cccc3c2oc2c(-c4ncc(-n5c6ccccc6c6ncccc65)cn4)ccnc23)cc1
InChIInChI=1S/C32H19N5O/c1-2-8-20(9-3-1)22-11-6-12-24-29-31(38-30(22)24)25(15-17-34-29)32-35-18-21(19-36-32)37-26-13-5-4-10-23(26)28-27(37)14-7-16-33-28/h1-19H
InChIKeyYBSPOVVKEUESIY-UHFFFAOYSA-N
MW489.54 g/mol
LogP7.60
Rot. Bonds3

About 6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine

6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336416) has the molecular formula C32H19N5O and a molecular weight of 489.54 g/mol. Its IUPAC name is 6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine
PubChem CID142336416
Molecular FormulaC32H19N5O
Molecular Weight489.54 g/mol
Exact Mass489.16
IUPAC Name6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cccc3c2oc2c(-c4ncc(-n5c6ccccc6c6ncccc65)cn4)ccnc23)cc1
InChIInChI=1S/C32H19N5O/c1-2-8-20(9-3-1)22-11-6-12-24-29-31(38-30(22)24)25(15-17-34-29)32-35-18-21(19-36-32)37-26-13-5-4-10-23(26)28-27(37)14-7-16-33-28/h1-19H
InChIKeyYBSPOVVKEUESIY-UHFFFAOYSA-N
XLogP7.60
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.54
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

6-(4-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 122692971
8-pyrido[3,2-b]indol-5-yl-4-pyrimidin-5-yl-[1]benzofuro[3,2-b]pyridine
CID 130191513
4-(3-pyridin-2-ylphenyl)-8-pyrido[3,2-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine
CID 142336402
6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 122692968
8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[3-[3-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336460
6-[4-[3,6-bis(4-dibenzofuran-4-ylphenyl)carbazol-9-yl]phenyl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 121449359
5-[4-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]pyrido[3,2-b]indole
CID 147682919
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
4-(6-carbazol-9-yl-[1]benzofuro[3,2-b]pyridin-4-yl)benzonitrile
CID 145345105
4-phenyl-[1]benzofuro[3,2-b]pyridine
CID 90139239
4-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 134316067
4-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 129291442

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine (CID 142336416) is 6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2cccc3c2oc2c(-c4ncc(-n5c6ccccc6c6ncccc65)cn4)ccnc23)cc1.
What is the InChIKey of 6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine?
The InChIKey is YBSPOVVKEUESIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N5O/c1-2-8-20(9-3-1)22-11-6-12-24-29-31(38-30(22)24)25(15-17-34-29)32-35-18-21(19-36-32)37-26-13-5-4-10-23(26)28-27(37)14-7-16-33-28/h1-19H.
What are the key properties of 6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine?
6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine has a molecular weight of 489.54 g/mol, XLogP of 7.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-(5-pyrido[3,2-b]indol-5-ylpyrimidin-2-yl)-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).