5-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;5-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;4,6-diphenyl-2-spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzothiole]-9'-ylpyrimidine

C149H95N9S2 — CID 159078662

IUPAC5-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;5-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;4,6-diphenyl-2-spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzothiole]-9'-ylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nccc(-c5ccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5)n4)c3cc21.c1ccc(-c2cc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5c(sc6ccccc65)c3-4)n2)cc1
InChIInChI=1S/C56H39N3.C47H28N2S.C46H28N4S/c1-55(2)47-22-12-9-20-42(47)45-34-46-44-21-11-14-24-52(44)59(53(46)35-49(45)55)54-57-32-31-51(58-54)37-27-25-36(26-28-37)38-29-30-43-41-19-10-13-23-48(41)56(50(43)33-38,39-15-5-3-6-16-39)40-17-7-4-8-18-40;1-3-13-29(14-4-1)41-28-42(30-15-5-2-6-16-30)49-46(48-41)31-23-24-36-40(27-31)47(37-20-10-7-17-32(37)33-18-8-11-21-38(33)47)39-26-25-35-34-19-9-12-22-43(34)50-45(35)44(36)39;1-3-14-29(15-4-1)38-27-39(35-22-13-21-34-33-20-9-12-25-44(33)51-45(34)35)48-46(47-38)50-41-24-11-8-19-32(41)37-26-36-31-18-7-10-23-40(31)49(42(36)28-43(37)50)30-16-5-2-6-17-30/h3-35H,1-2H3;1-28H;1-28H
InChIKeyKAOOWVRXGQOYQZ-UHFFFAOYSA-N
MW2075.60 g/mol
LogP38.14
Rot. Bonds12

About 5-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;5-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;4,6-diphenyl-2-spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzothiole]-9'-ylpyrimidine

5-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;5-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;4,6-diphenyl-2-spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzothiole]-9'-ylpyrimidine (PubChem CID 159078662) has the molecular formula C149H95N9S2 and a molecular weight of 2075.60 g/mol. Its IUPAC name is 5-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;5-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;4,6-diphenyl-2-spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzothiole]-9'-ylpyrimidine.

Molecular Properties

Compound Name5-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;5-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;4,6-diphenyl-2-spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzothiole]-9'-ylpyrimidine
PubChem CID159078662
Molecular FormulaC149H95N9S2
Molecular Weight2075.60 g/mol
Exact Mass2073.72
IUPAC Name5-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;5-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;4,6-diphenyl-2-spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzothiole]-9'-ylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nccc(-c5ccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5)n4)c3cc21.c1ccc(-c2cc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5c(sc6ccccc65)c3-4)n2)cc1
InChIInChI=1S/C56H39N3.C47H28N2S.C46H28N4S/c1-55(2)47-22-12-9-20-42(47)45-34-46-44-21-11-14-24-52(44)59(53(46)35-49(45)55)54-57-32-31-51(58-54)37-27-25-36(26-28-37)38-29-30-43-41-19-10-13-23-48(41)56(50(43)33-38,39-15-5-3-6-16-39)40-17-7-4-8-18-40;1-3-13-29(14-4-1)41-28-42(30-15-5-2-6-16-30)49-46(48-41)31-23-24-36-40(27-31)47(37-20-10-7-17-32(37)33-18-8-11-21-38(33)47)39-26-25-35-34-19-9-12-22-43(34)50-45(35)44(36)39;1-3-14-29(15-4-1)38-27-39(35-22-13-21-34-33-20-9-12-25-44(33)51-45(34)35)48-46(47-38)50-41-24-11-8-19-32(41)37-26-36-31-18-7-10-23-40(31)49(42(36)28-43(37)50)30-16-5-2-6-17-30/h3-35H,1-2H3;1-28H;1-28H
InChIKeyKAOOWVRXGQOYQZ-UHFFFAOYSA-N
XLogP38.14
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002075.60
LogP ≤ 538.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;5-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;4,6-diphenyl-2-spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzothiole]-9'-ylpyrimidine with MolForge

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Related Compounds

7,7-dimethyl-5-[4-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;4-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-[1]benzothiolo[3,2-b]carbazole;5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 159415052
3-dibenzothiophen-4-yl-9-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole;3-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157441930
5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];2,4-diphenyl-6-[3-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine;12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 164991274
7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole;5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 157086336
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 160957754
9-[9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-6-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)carbazol-3-yl]-5-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 170096364
2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 162006588
5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 134569448
7,7-dimethyl-5-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]indeno[2,1-b]carbazole
CID 71235175
9-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-(3-triphenylen-2-ylphenyl)pyrimidin-2-yl]carbazole
CID 161255304
11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 161341820
5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 160965207

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;5-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;4,6-diphenyl-2-spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzothiole]-9'-ylpyrimidine?
The IUPAC name of 5-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;5-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;4,6-diphenyl-2-spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzothiole]-9'-ylpyrimidine (CID 159078662) is 5-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;5-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;4,6-diphenyl-2-spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzothiole]-9'-ylpyrimidine.
What is the SMILES notation for 5-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;5-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;4,6-diphenyl-2-spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzothiole]-9'-ylpyrimidine?
The canonical SMILES for 5-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;5-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;4,6-diphenyl-2-spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzothiole]-9'-ylpyrimidine is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nccc(-c5ccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5)n4)c3cc21.c1ccc(-c2cc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccc5c(sc6ccccc65)c3-4)n2)cc1.
What is the InChIKey of 5-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;5-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;4,6-diphenyl-2-spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzothiole]-9'-ylpyrimidine?
The InChIKey is KAOOWVRXGQOYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N3.C47H28N2S.C46H28N4S/c1-55(2)47-22-12-9-20-42(47)45-34-46-44-21-11-14-24-52(44)59(53(46)35-49(45)55)54-57-32-31-51(58-54)37-27-25-36(26-28-37)38-29-30-43-41-19-10-13-23-48(41)56(50(43)33-38,39-15-5-3-6-16-39)40-17-7-4-8-18-40;1-3-13-29(14-4-1)41-28-42(30-15-5-2-6-16-30)49-46(48-41)31-23-24-36-40(27-31)47(37-20-10-7-17-32(37)33-18-8-11-21-38(33)47)39-26-25-35-34-19-9-12-22-43(34)50-45(35)44(36)39;1-3-14-29(15-4-1)38-27-39(35-22-13-21-34-33-20-9-12-25-44(33)51-45(34)35)48-46(47-38)50-41-24-11-8-19-32(41)37-26-36-31-18-7-10-23-40(31)49(42(36)28-43(37)50)30-16-5-2-6-17-30/h3-35H,1-2H3;1-28H;1-28H.
What are the key properties of 5-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;5-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;4,6-diphenyl-2-spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzothiole]-9'-ylpyrimidine?
5-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;5-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;4,6-diphenyl-2-spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzothiole]-9'-ylpyrimidine has a molecular weight of 2075.60 g/mol, XLogP of 38.14, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;5-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;4,6-diphenyl-2-spiro[fluorene-9,7'-fluoreno[5,6-b][1]benzothiole]-9'-ylpyrimidine is sourced from PubChem (CID 159078662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).