11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole

C141H88N10S4 — CID 157480045

IUPAC11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)nc(-c2ccc3sc4ccccc4c3c2)n1.c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)nc(-c4cccc5sc6ccccc6c45)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)nc(-c4cccc5sc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C52H32N4S.C46H27N3S2.C43H29N3S/c1-3-14-33(15-4-1)34-26-28-35(29-27-34)43-32-50(54-52(53-43)40-21-13-25-49-51(40)39-20-9-12-24-48(39)57-49)56-45-23-11-8-19-38(45)42-30-46-41(31-47(42)56)37-18-7-10-22-44(37)55(46)36-16-5-2-6-17-36;1-2-11-28(12-3-1)29-21-23-30(24-22-29)37-27-44(48-46(47-37)34-16-10-20-42-45(34)33-15-6-9-19-41(33)50-42)49-38-17-7-4-13-31(38)35-26-43-36(25-39(35)49)32-14-5-8-18-40(32)51-43;1-43(2)34-17-9-6-14-28(34)31-24-38-32(23-35(31)43)29-15-7-10-18-37(29)46(38)41-25-36(26-12-4-3-5-13-26)44-42(45-41)27-20-21-40-33(22-27)30-16-8-11-19-39(30)47-40/h1-32H;1-27H;3-25H,1-2H3
InChIKeyBWBCZYNOSHJXFZ-UHFFFAOYSA-N
MW2050.59 g/mol
LogP38.93
Rot. Bonds12

About 11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole

11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole (PubChem CID 157480045) has the molecular formula C141H88N10S4 and a molecular weight of 2050.59 g/mol. Its IUPAC name is 11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole
PubChem CID157480045
Molecular FormulaC141H88N10S4
Molecular Weight2050.59 g/mol
Exact Mass2048.61
IUPAC Name11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)nc(-c2ccc3sc4ccccc4c3c2)n1.c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)nc(-c4cccc5sc6ccccc6c45)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)nc(-c4cccc5sc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C52H32N4S.C46H27N3S2.C43H29N3S/c1-3-14-33(15-4-1)34-26-28-35(29-27-34)43-32-50(54-52(53-43)40-21-13-25-49-51(40)39-20-9-12-24-48(39)57-49)56-45-23-11-8-19-38(45)42-30-46-41(31-47(42)56)37-18-7-10-22-44(37)55(46)36-16-5-2-6-17-36;1-2-11-28(12-3-1)29-21-23-30(24-22-29)37-27-44(48-46(47-37)34-16-10-20-42-45(34)33-15-6-9-19-41(33)50-42)49-38-17-7-4-13-31(38)35-26-43-36(25-39(35)49)32-14-5-8-18-40(32)51-43;1-43(2)34-17-9-6-14-28(34)31-24-38-32(23-35(31)43)29-15-7-10-18-37(29)46(38)41-25-36(26-12-4-3-5-13-26)44-42(45-41)27-20-21-40-33(22-27)30-16-8-11-19-39(30)47-40/h1-32H;1-27H;3-25H,1-2H3
InChIKeyBWBCZYNOSHJXFZ-UHFFFAOYSA-N
XLogP38.93
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002050.59
LogP ≤ 538.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole with MolForge

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Related Compounds

11-[4-(2,6-diphenyl-4-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[2-(4,6-diphenyl-2-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;11-[2-(2,6-diphenyl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 163671898
3-[3-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazole;9-phenyl-3-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 161303255
5-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 169014751
5-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 158901349
11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 158332810
5-(2,6-diphenylpyrimidin-4-yl)-15,15-dimethyl-25-phenyl-5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 118242820
5-(6-dibenzofuran-1-yl-2-dibenzothiophen-2-ylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 130327262
2-[6-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-8-yl)-9-phenylcarbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole
CID 118503289
3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane
CID 162161551
11-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-[1]benzothiolo[3,2-b]carbazole;9-(4-dibenzofuran-4-yl-6-phenyl-2-pyridinyl)carbazole;5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole;11-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-5-phenylindolo[3,2-b]carbazole
CID 158315397
5-[4-dibenzothiophen-1-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 130327255
3-dibenzothiophen-2-yl-9-(4,6-diphenyl-2-pyridinyl)carbazole;3-dibenzothiophen-2-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 160548050

Frequently Asked Questions

What is the IUPAC name of 11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole?
The IUPAC name of 11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole (CID 157480045) is 11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole.
What is the SMILES notation for 11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole?
The canonical SMILES for 11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccccc2)nc(-c2ccc3sc4ccccc4c3c2)n1.c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)nc(-c4cccc5sc6ccccc6c45)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)nc(-c4cccc5sc6ccccc6c45)n3)cc2)cc1.
What is the InChIKey of 11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole?
The InChIKey is BWBCZYNOSHJXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4S.C46H27N3S2.C43H29N3S/c1-3-14-33(15-4-1)34-26-28-35(29-27-34)43-32-50(54-52(53-43)40-21-13-25-49-51(40)39-20-9-12-24-48(39)57-49)56-45-23-11-8-19-38(45)42-30-46-41(31-47(42)56)37-18-7-10-22-44(37)55(46)36-16-5-2-6-17-36;1-2-11-28(12-3-1)29-21-23-30(24-22-29)37-27-44(48-46(47-37)34-16-10-20-42-45(34)33-15-6-9-19-41(33)50-42)49-38-17-7-4-13-31(38)35-26-43-36(25-39(35)49)32-14-5-8-18-40(32)51-43;1-43(2)34-17-9-6-14-28(34)31-24-38-32(23-35(31)43)29-15-7-10-18-37(29)46(38)41-25-36(26-12-4-3-5-13-26)44-42(45-41)27-20-21-40-33(22-27)30-16-8-11-19-39(30)47-40/h1-32H;1-27H;3-25H,1-2H3.
What are the key properties of 11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole?
11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole has a molecular weight of 2050.59 g/mol, XLogP of 38.93, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;11-[2-dibenzothiophen-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-(2-dibenzothiophen-2-yl-6-phenylpyrimidin-4-yl)-11,11-dimethylindeno[1,2-b]carbazole is sourced from PubChem (CID 157480045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).