14-[4-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;14-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C244H145N13O3S7 — CID 159310143

About 14-[4-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;14-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

14-[4-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;14-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 159310143) has the molecular formula C244H145N13O3S7 and a molecular weight of 3531.40 g/mol. Its IUPAC name is 14-[4-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;14-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-9-thia-14-azapentacyclo[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 Name: 14-[4-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;14-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 159310143
• Molecular Formula: C244H145N13O3S7
• Molecular Weight: 3531.40 g/mol
• Exact Mass: 3527.96
• IUPAC Name: 14-[4-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;14-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)cc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)cc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6c7c(ccc65)oc5ccccc57)cc4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6c7c(ccc65)oc5ccccc57)cc4)cc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)sc4ccccc46)cc3)cc(-c3cccc4c3sc3ccccc34)n2)cc1
• InChI: InChI=1S/2C52H31N3OS.C47H28N2OS.C47H28N2S2.C46H27N3S2/c1-2-11-32(12-3-1)33-21-23-35(24-22-33)52-53-42(31-43(54-52)39-17-10-16-38-37-13-6-9-20-48(37)57-51(38)39)34-25-27-36(28-26-34)55-44-18-7-4-14-40(44)49-45(55)29-30-47-50(49)41-15-5-8-19-46(41)56-47;1-2-11-32(12-3-1)33-21-23-34(24-22-33)42-31-43(54-52(53-42)41-17-10-16-38-37-13-6-9-20-48(37)57-51(38)41)35-25-27-36(28-26-35)55-44-18-7-4-14-39(44)49-45(55)29-30-47-50(49)40-15-5-8-19-46(40)56-47;1-2-11-30(12-3-1)39-27-31(28-40(48-39)37-17-10-16-36-34-14-6-9-20-44(34)51-47(36)37)29-21-23-32(24-22-29)49-41-18-7-4-15-38(41)45-42(49)26-25-35-33-13-5-8-19-43(33)50-46(35)45;1-2-11-30(12-3-1)39-27-31(28-40(48-39)37-17-10-16-35-33-13-5-8-19-43(33)50-46(35)37)29-21-23-32(24-22-29)49-41-18-7-4-15-38(41)45-42(49)26-25-36-34-14-6-9-20-44(34)51-47(36)45;1-2-11-29(12-3-1)46-47-36(27-37(48-46)33-17-10-16-32-31-13-5-8-19-40(31)51-45(32)33)28-21-23-30(24-22-28)49-38-18-7-4-14-34(38)43-39(49)25-26-42-44(43)35-15-6-9-20-41(35)50-42/h2*1-31H;2*1-28H;1-27H
• InChIKey: LCKVQNVEOAJITQ-UHFFFAOYSA-N
• XLogP: 69.69
• TPSA: 167.19 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 267
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3531.40
LogP ≤ 5	69.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 14-[4-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;14-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-9-thia-14-azapentacyclo[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 14-[4-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;14-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 159310143) is 14-[4-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;14-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-9-thia-14-azapentacyclo[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 14-[4-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;14-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-9-thia-14-azapentacyclo[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 14-[4-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;14-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)cc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc3)cc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6c7c(ccc65)oc5ccccc57)cc4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6c7c(ccc65)oc5ccccc57)cc4)cc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)sc4ccccc46)cc3)cc(-c3cccc4c3sc3ccccc34)n2)cc1.

What is the InChIKey of 14-[4-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;14-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-9-thia-14-azapentacyclo[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 LCKVQNVEOAJITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H31N3OS.C47H28N2OS.C47H28N2S2.C46H27N3S2/c1-2-11-32(12-3-1)33-21-23-35(24-22-33)52-53-42(31-43(54-52)39-17-10-16-38-37-13-6-9-20-48(37)57-51(38)39)34-25-27-36(28-26-34)55-44-18-7-4-14-40(44)49-45(55)29-30-47-50(49)41-15-5-8-19-46(41)56-47;1-2-11-32(12-3-1)33-21-23-34(24-22-33)42-31-43(54-52(53-42)41-17-10-16-38-37-13-6-9-20-48(37)57-51(38)41)35-25-27-36(28-26-35)55-44-18-7-4-14-39(44)49-45(55)29-30-47-50(49)40-15-5-8-19-46(40)56-47;1-2-11-30(12-3-1)39-27-31(28-40(48-39)37-17-10-16-36-34-14-6-9-20-44(34)51-47(36)37)29-21-23-32(24-22-29)49-41-18-7-4-15-38(41)45-42(49)26-25-35-33-13-5-8-19-43(33)50-46(35)45;1-2-11-30(12-3-1)39-27-31(28-40(48-39)37-17-10-16-35-33-13-5-8-19-43(33)50-46(35)37)29-21-23-32(24-22-29)49-41-18-7-4-15-38(41)45-42(49)26-25-36-34-14-6-9-20-44(34)51-47(36)45;1-2-11-29(12-3-1)46-47-36(27-37(48-46)33-17-10-16-32-31-13-5-8-19-40(31)51-45(32)33)28-21-23-30(24-22-28)49-38-18-7-4-14-34(38)43-39(49)25-26-42-44(43)35-15-6-9-20-41(35)50-42/h2*1-31H;2*1-28H;1-27H.

What are the key properties of 14-[4-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;14-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

14-[4-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;14-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-9-thia-14-azapentacyclo[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 3531.40 g/mol, XLogP of 69.69, 22 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[4-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(2-dibenzothiophen-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;14-[4-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-9-thia-14-azapentacyclo[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 159310143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).