8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine

C40H23N3O — CID 153065861

IUPAC8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c3oc4ccc(-c5ccc6c(c5)c5cccc7c8ccccc8n6c75)cc4c3n2)cc1
InChIInChI=1S/C40H23N3O/c1-3-10-24(11-4-1)36-39-37(42-40(41-36)25-12-5-2-6-13-25)32-23-27(19-21-35(32)44-39)26-18-20-34-31(22-26)30-16-9-15-29-28-14-7-8-17-33(28)43(34)38(29)30/h1-23H
InChIKeyVKJDRNIUAYCOND-UHFFFAOYSA-N
MW561.64 g/mol
LogP10.53
Rot. Bonds3

About 8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine

8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 153065861) has the molecular formula C40H23N3O and a molecular weight of 561.64 g/mol. Its IUPAC name is 8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID153065861
Molecular FormulaC40H23N3O
Molecular Weight561.64 g/mol
Exact Mass561.18
IUPAC Name8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c3oc4ccc(-c5ccc6c(c5)c5cccc7c8ccccc8n6c75)cc4c3n2)cc1
InChIInChI=1S/C40H23N3O/c1-3-10-24(11-4-1)36-39-37(42-40(41-36)25-12-5-2-6-13-25)32-23-27(19-21-35(32)44-39)26-18-20-34-31(22-26)30-16-9-15-29-28-14-7-8-17-33(28)43(34)38(29)30/h1-23H
InChIKeyVKJDRNIUAYCOND-UHFFFAOYSA-N
XLogP10.53
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.64
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

2,4-diphenyl-8-[3-(3-triphenylen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 170397386
8-(4-carbazol-9-ylphenyl)-2-phenyl-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 146606368
4-phenyl-2-(4-phenylphenyl)-8-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170397399
2-phenyl-8-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 142551150
4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 167047673
4-(3-phenylphenyl)-2-(4-phenylphenyl)-8-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170397397
2-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 168826463
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 163455374
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118232398
2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 146647718
2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 163218425
2-phenyl-4-[3-[3-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489509

Frequently Asked Questions

What is the IUPAC name of 8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine (CID 153065861) is 8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)c3oc4ccc(-c5ccc6c(c5)c5cccc7c8ccccc8n6c75)cc4c3n2)cc1.
What is the InChIKey of 8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is VKJDRNIUAYCOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3O/c1-3-10-24(11-4-1)36-39-37(42-40(41-36)25-12-5-2-6-13-25)32-23-27(19-21-35(32)44-39)26-18-20-34-31(22-26)30-16-9-15-29-28-14-7-8-17-33(28)43(34)38(29)30/h1-23H.
What are the key properties of 8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine?
8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 561.64 g/mol, XLogP of 10.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 153065861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).