5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole

C178H108N12OS5 — CID 159116407

IUPAC5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)nc(-c4cccc5c4sc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)nc(-c4cccc5c4sc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)nc(-c4cccc5c4sc4ccccc45)n3)c2)cc1
InChIInChI=1S/C46H27N3OS.C46H27N3S2.C46H29N3S.C40H25N3S/c1-2-12-28(13-3-1)29-14-10-15-30(26-29)37-27-42(48-46(47-37)36-20-11-19-34-32-17-6-9-23-41(32)51-45(34)36)49-38-21-7-4-18-35(38)43-39(49)25-24-33-31-16-5-8-22-40(31)50-44(33)43;1-2-12-28(13-3-1)29-14-10-15-30(26-29)37-27-42(48-46(47-37)36-20-11-19-33-31-16-5-8-22-40(31)50-44(33)36)49-38-21-7-4-18-35(38)43-39(49)25-24-34-32-17-6-9-23-41(32)51-45(34)43;1-3-14-30(15-4-1)31-16-11-17-32(28-31)39-29-40(48-46(47-39)38-24-12-22-35-34-20-8-10-27-43(34)50-45(35)38)36-23-13-26-42-44(36)37-21-7-9-25-41(37)49(42)33-18-5-2-6-19-33;1-3-12-26(13-4-1)34-25-35(42-40(41-34)32-19-11-18-31-30-17-8-10-21-38(30)44-39(31)32)27-22-23-37-33(24-27)29-16-7-9-20-36(29)43(37)28-14-5-2-6-15-28/h2*1-27H;1-29H;1-25H
InChIKeyKFDKXYZPRCXLLK-UHFFFAOYSA-N
MW2591.24 g/mol
LogP49.70
Rot. Bonds17

About 5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole

5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole (PubChem CID 159116407) has the molecular formula C178H108N12OS5 and a molecular weight of 2591.24 g/mol. Its IUPAC name is 5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole
PubChem CID159116407
Molecular FormulaC178H108N12OS5
Molecular Weight2591.24 g/mol
Exact Mass2588.74
IUPAC Name5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)nc(-c4cccc5c4sc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)nc(-c4cccc5c4sc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)nc(-c4cccc5c4sc4ccccc45)n3)c2)cc1
InChIInChI=1S/C46H27N3OS.C46H27N3S2.C46H29N3S.C40H25N3S/c1-2-12-28(13-3-1)29-14-10-15-30(26-29)37-27-42(48-46(47-37)36-20-11-19-34-32-17-6-9-23-41(32)51-45(34)36)49-38-21-7-4-18-35(38)43-39(49)25-24-33-31-16-5-8-22-40(31)50-44(33)43;1-2-12-28(13-3-1)29-14-10-15-30(26-29)37-27-42(48-46(47-37)36-20-11-19-33-31-16-5-8-22-40(31)50-44(33)36)49-38-21-7-4-18-35(38)43-39(49)25-24-34-32-17-6-9-23-41(32)51-45(34)43;1-3-14-30(15-4-1)31-16-11-17-32(28-31)39-29-40(48-46(47-39)38-24-12-22-35-34-20-8-10-27-43(34)50-45(35)38)36-23-13-26-42-44(36)37-21-7-9-25-41(37)49(42)33-18-5-2-6-19-33;1-3-12-26(13-4-1)34-25-35(42-40(41-34)32-19-11-18-31-30-17-8-10-21-38(30)44-39(31)32)27-22-23-37-33(24-27)29-16-7-9-20-36(29)43(37)28-14-5-2-6-15-28/h2*1-27H;1-29H;1-25H
InChIKeyKFDKXYZPRCXLLK-UHFFFAOYSA-N
XLogP49.70
TPSA135.98 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002591.24
LogP ≤ 549.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole with MolForge

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Related Compounds

5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 159845664
5-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-c]carbazole
CID 118154172
5-[3-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154691
5-[6-dibenzothiophen-4-yl-4-(3-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-c]carbazole
CID 118154375
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-4,6-diphenyl-1,3,5-triazine
CID 161097020
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
9-[3-carbazol-9-yl-5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]phenyl]carbazole;2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 161457471
5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154029
5-(4-dibenzofuran-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 159515126
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 161435526
4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole
CID 118154323
11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146543268

Frequently Asked Questions

What is the IUPAC name of 5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole?
The IUPAC name of 5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole (CID 159116407) is 5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole.
What is the SMILES notation for 5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole?
The canonical SMILES for 5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole is c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc5c4c4ccccc4n5-c4ccccc4)nc(-c4cccc5c4sc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)nc(-c4cccc5c4sc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)nc(-c4cccc5c4sc4ccccc45)n3)c2)cc1.
What is the InChIKey of 5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole?
The InChIKey is KFDKXYZPRCXLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3OS.C46H27N3S2.C46H29N3S.C40H25N3S/c1-2-12-28(13-3-1)29-14-10-15-30(26-29)37-27-42(48-46(47-37)36-20-11-19-34-32-17-6-9-23-41(32)51-45(34)36)49-38-21-7-4-18-35(38)43-39(49)25-24-33-31-16-5-8-22-40(31)50-44(33)43;1-2-12-28(13-3-1)29-14-10-15-30(26-29)37-27-42(48-46(47-37)36-20-11-19-33-31-16-5-8-22-40(31)50-44(33)36)49-38-21-7-4-18-35(38)43-39(49)25-24-34-32-17-6-9-23-41(32)51-45(34)43;1-3-14-30(15-4-1)31-16-11-17-32(28-31)39-29-40(48-46(47-39)38-24-12-22-35-34-20-8-10-27-43(34)50-45(35)38)36-23-13-26-42-44(36)37-21-7-9-25-41(37)49(42)33-18-5-2-6-19-33;1-3-12-26(13-4-1)34-25-35(42-40(41-34)32-19-11-18-31-30-17-8-10-21-38(30)44-39(31)32)27-22-23-37-33(24-27)29-16-7-9-20-36(29)43(37)28-14-5-2-6-15-28/h2*1-27H;1-29H;1-25H.
What are the key properties of 5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole?
5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole has a molecular weight of 2591.24 g/mol, XLogP of 49.70, 17 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]carbazole;5-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-c]carbazole;4-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;3-(2-dibenzothiophen-4-yl-6-phenylpyrimidin-4-yl)-9-phenylcarbazole is sourced from PubChem (CID 159116407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).