10-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene

C52H30N4O — CID 163686187

IUPAC10-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)cc(-n3c4ccccc4c4cc5c6c(c7ccccc7n6-c6ccccc6-c6ccccc6-5)c43)n2)cc1
InChIInChI=1S/C52H30N4O/c1-2-14-31(15-3-1)52-53-42(32-26-27-47-39(28-32)37-20-9-13-25-46(37)57-47)30-48(54-52)56-44-23-11-7-19-36(44)41-29-40-34-17-5-4-16-33(34)35-18-6-10-22-43(35)55-45-24-12-8-21-38(45)49(50(40)55)51(41)56/h1-30H
InChIKeyJPBIVWKXBWMXNB-UHFFFAOYSA-N
MW726.84 g/mol
LogP13.55
Rot. Bonds3

About 10-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene

10-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene (PubChem CID 163686187) has the molecular formula C52H30N4O and a molecular weight of 726.84 g/mol. Its IUPAC name is 10-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene.

Molecular Properties

Compound Name10-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene
PubChem CID163686187
Molecular FormulaC52H30N4O
Molecular Weight726.84 g/mol
Exact Mass726.24
IUPAC Name10-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)cc(-n3c4ccccc4c4cc5c6c(c7ccccc7n6-c6ccccc6-c6ccccc6-5)c43)n2)cc1
InChIInChI=1S/C52H30N4O/c1-2-14-31(15-3-1)52-53-42(32-26-27-47-39(28-32)37-20-9-13-25-46(37)57-47)30-48(54-52)56-44-23-11-7-19-36(44)41-29-40-34-17-5-4-16-33(34)35-18-6-10-22-43(35)55-45-24-12-8-21-38(45)49(50(40)55)51(41)56/h1-30H
InChIKeyJPBIVWKXBWMXNB-UHFFFAOYSA-N
XLogP13.55
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.84
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene
CID 163893675
10-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121386100
12-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-a]carbazole
CID 138649917
9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-phenylpyrimidin-4-yl]carbazole
CID 89433731
12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole
CID 134168984
9-[2-[7-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 176607657
3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164956340
9-[2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
CID 176607540
1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole
CID 142568974
9-[2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]carbazole
CID 176607555
12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-[1]benzofuro[3,2-a]carbazole
CID 138649916
9-[4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358091

Frequently Asked Questions

What is the IUPAC name of 10-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene?
The IUPAC name of 10-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene (CID 163686187) is 10-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene.
What is the SMILES notation for 10-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene?
The canonical SMILES for 10-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)cc(-n3c4ccccc4c4cc5c6c(c7ccccc7n6-c6ccccc6-c6ccccc6-5)c43)n2)cc1.
What is the InChIKey of 10-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene?
The InChIKey is JPBIVWKXBWMXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O/c1-2-14-31(15-3-1)52-53-42(32-26-27-47-39(28-32)37-20-9-13-25-46(37)57-47)30-48(54-52)56-44-23-11-7-19-36(44)41-29-40-34-17-5-4-16-33(34)35-18-6-10-22-43(35)55-45-24-12-8-21-38(45)49(50(40)55)51(41)56/h1-30H.
What are the key properties of 10-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene?
10-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene has a molecular weight of 726.84 g/mol, XLogP of 13.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene is sourced from PubChem (CID 163686187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).