9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C104H64N8O2 — CID 158667209

IUPAC9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)n3)c2)cc1
InChIInChI=1S/2C52H32N4O/c1-3-15-33(16-4-1)34-17-13-18-35(31-34)42-32-43(39-25-14-24-38-37-21-9-12-28-48(37)57-51(38)39)54-52(53-42)56-45-27-11-8-23-41(45)50-47(56)30-29-46-49(50)40-22-7-10-26-44(40)55(46)36-19-5-2-6-20-36;1-3-14-33(15-4-1)34-16-13-17-35(30-34)42-32-43(36-26-27-39-38-20-9-12-25-48(38)57-49(39)31-36)54-52(53-42)56-45-24-11-8-22-41(45)51-47(56)29-28-46-50(51)40-21-7-10-23-44(40)55(46)37-18-5-2-6-19-37/h2*1-32H
InChIKeyIDMWALZKVVWMBG-UHFFFAOYSA-N
MW1457.71 g/mol
LogP27.14
Rot. Bonds10

About 9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 158667209) has the molecular formula C104H64N8O2 and a molecular weight of 1457.71 g/mol. Its IUPAC name is 9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID158667209
Molecular FormulaC104H64N8O2
Molecular Weight1457.71 g/mol
Exact Mass1456.52
IUPAC Name9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)n3)c2)cc1
InChIInChI=1S/2C52H32N4O/c1-3-15-33(16-4-1)34-17-13-18-35(31-34)42-32-43(39-25-14-24-38-37-21-9-12-28-48(37)57-51(38)39)54-52(53-42)56-45-27-11-8-23-41(45)50-47(56)30-29-46-49(50)40-22-7-10-26-44(40)55(46)36-19-5-2-6-20-36;1-3-14-33(15-4-1)34-16-13-17-35(30-34)42-32-43(36-26-27-39-38-20-9-12-25-48(38)57-49(39)31-36)54-52(53-42)56-45-24-11-8-22-41(45)51-47(56)29-28-46-50(51)40-21-7-10-23-44(40)55(46)37-18-5-2-6-19-37/h2*1-32H
InChIKeyIDMWALZKVVWMBG-UHFFFAOYSA-N
XLogP27.14
TPSA97.56 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001457.71
LogP ≤ 527.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 157316806
11-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 158593172
5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole
CID 118154108
5-[4-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154439
5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole
CID 118154104
11-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-(2,6-diphenyl-4-pyridinyl)-5-(4-phenylphenyl)-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole;methane
CID 158075368
10-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 140957222
4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole
CID 146572638
11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146543268
3-dibenzofuran-3-yl-11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;3-dibenzofuran-3-yl-11-(2,6-diphenylpyrimidin-4-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;3-dibenzofuran-4-yl-11-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 159169194
4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
CID 118154043
9-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169014621

Frequently Asked Questions

What is the IUPAC name of 9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 158667209) is 9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)n3)c2)cc1.
What is the InChIKey of 9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is IDMWALZKVVWMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H32N4O/c1-3-15-33(16-4-1)34-17-13-18-35(31-34)42-32-43(39-25-14-24-38-37-21-9-12-28-48(37)57-51(38)39)54-52(53-42)56-45-27-11-8-23-41(45)50-47(56)30-29-46-49(50)40-22-7-10-26-44(40)55(46)36-19-5-2-6-20-36;1-3-14-33(15-4-1)34-16-13-17-35(30-34)42-32-43(36-26-27-39-38-20-9-12-25-48(38)57-49(39)31-36)54-52(53-42)56-45-24-11-8-22-41(45)51-47(56)29-28-46-50(51)40-21-7-10-23-44(40)55(46)37-18-5-2-6-19-37/h2*1-32H.
What are the key properties of 9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 1457.71 g/mol, XLogP of 27.14, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 158667209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).