10-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-6-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

C40H23N3O2 — CID 134399153

IUPAC10-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-6-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)oc2ccc(-c4cc5c6c(c4)c4ccccc4n6-c4ccccc4O5)cc23)cc1
InChIInChI=1S/C40H23N3O2/c1-3-11-24(12-4-1)37-36-30-21-26(19-20-33(30)45-40(36)42-39(41-37)25-13-5-2-6-14-25)27-22-29-28-15-7-8-16-31(28)43-32-17-9-10-18-34(32)44-35(23-27)38(29)43/h1-23H
InChIKeyNWKGDWQSQVGLPM-UHFFFAOYSA-N
MW577.64 g/mol
LogP10.58
Rot. Bonds3

About 10-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-6-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

10-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-6-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (PubChem CID 134399153) has the molecular formula C40H23N3O2 and a molecular weight of 577.64 g/mol. Its IUPAC name is 10-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-6-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name10-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-6-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
PubChem CID134399153
Molecular FormulaC40H23N3O2
Molecular Weight577.64 g/mol
Exact Mass577.18
IUPAC Name10-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-6-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)oc2ccc(-c4cc5c6c(c4)c4ccccc4n6-c4ccccc4O5)cc23)cc1
InChIInChI=1S/C40H23N3O2/c1-3-11-24(12-4-1)37-36-30-21-26(19-20-33(30)45-40(36)42-39(41-37)25-13-5-2-6-14-25)27-22-29-28-15-7-8-16-31(28)43-32-17-9-10-18-34(32)44-35(23-27)38(29)43/h1-23H
InChIKeyNWKGDWQSQVGLPM-UHFFFAOYSA-N
XLogP10.58
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.64
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-6-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene with MolForge

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Related Compounds

2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 170397419
4-phenyl-2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 130333492
5-[2-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]benzene-1,3-dicarbonitrile
CID 167250856
2,6-diphenyl-4-[8-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-d]pyrimidine
CID 170529246
4-(1-benzo[a]carbazol-11-yldibenzofuran-4-yl)-2-phenyl-6-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 174311955
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 146992851
6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine
CID 174312077
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[8-(2-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 170080047
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[3-[3-[4-[2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 161158830
12-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 130334102
4-(4-benzo[b]carbazol-5-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine
CID 174311943
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 169010518

Frequently Asked Questions

What is the IUPAC name of 10-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-6-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 10-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-6-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (CID 134399153) is 10-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-6-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 10-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-6-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 10-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-6-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is c1ccc(-c2nc(-c3ccccc3)c3c(n2)oc2ccc(-c4cc5c6c(c4)c4ccccc4n6-c4ccccc4O5)cc23)cc1.
What is the InChIKey of 10-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-6-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The InChIKey is NWKGDWQSQVGLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3O2/c1-3-11-24(12-4-1)37-36-30-21-26(19-20-33(30)45-40(36)42-39(41-37)25-13-5-2-6-14-25)27-22-29-28-15-7-8-16-31(28)43-32-17-9-10-18-34(32)44-35(23-27)38(29)43/h1-23H.
What are the key properties of 10-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-6-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
10-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-6-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene has a molecular weight of 577.64 g/mol, XLogP of 10.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-6-yl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 134399153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).