3-dibenzothiophen-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinolin-2-yl)carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane

C317H205N23S3Si — CID 159981859

IUPAC3-dibenzothiophen-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinolin-2-yl)carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1.c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4nccc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)n4)c3c2)cc1.c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3cc5c(cc34)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc43)n2)cc1
InChIInChI=1S/2C51H33N3.C46H33N3Si.C45H28N4S.C45H29N3.C40H25N3S.C39H24N4S/c1-3-14-34(15-4-1)35-16-13-17-38(30-35)43-33-51(52-46-23-10-7-20-40(43)46)54-48-25-12-9-22-42(48)45-32-37(27-29-50(45)54)36-26-28-49-44(31-36)41-21-8-11-24-47(41)53(49)39-18-5-2-6-19-39;1-3-13-34(14-4-1)35-23-25-36(26-24-35)43-33-51(52-46-20-10-7-17-40(43)46)54-48-22-12-9-19-42(48)45-32-38(28-30-50(45)54)37-27-29-49-44(31-37)41-18-8-11-21-47(41)53(49)39-15-5-2-6-16-39;1-5-16-34(17-6-1)35-28-29-42-41-26-13-14-27-44(41)49(45(42)33-35)46-47-31-30-43(48-46)36-18-15-25-40(32-36)50(37-19-7-2-8-20-37,38-21-9-3-10-22-38)39-23-11-4-12-24-39;1-3-13-29(14-4-1)43-46-44(30-15-5-2-6-16-30)48-45(47-43)49-39-23-9-7-19-35(39)36-26-25-32(28-40(36)49)31-17-11-18-33(27-31)34-21-12-22-38-37-20-8-10-24-41(37)50-42(34)38;1-3-13-30(14-4-1)37-29-45(46-40-20-10-7-17-34(37)40)48-42-22-12-9-19-36(42)39-28-32(24-26-44(39)48)31-23-25-43-38(27-31)35-18-8-11-21-41(35)47(43)33-15-5-2-6-16-33;1-3-12-26(13-4-1)34-25-35(27-14-5-2-6-15-27)42-40(41-34)43-36-20-9-7-16-30(36)33-24-28(22-23-37(33)43)29-18-11-19-32-31-17-8-10-21-38(31)44-39(29)32;1-4-13-25(14-5-1)37-40-38(26-15-6-2-7-16-26)42-39(41-37)30-21-12-20-29-32-23-31-28-19-10-11-22-33(28)43(27-17-8-3-9-18-27)34(31)24-35(32)44-36(29)30/h2*1-33H;1-33H;1-28H;1-29H;1-25H;1-24H
InChIKeyOFWHUYBXRWWHJM-UHFFFAOYSA-N
MW4460.57 g/mol
LogP80.19
Rot. Bonds34

About 3-dibenzothiophen-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinolin-2-yl)carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane

3-dibenzothiophen-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinolin-2-yl)carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane (PubChem CID 159981859) has the molecular formula C317H205N23S3Si and a molecular weight of 4460.57 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinolin-2-yl)carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinolin-2-yl)carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane
PubChem CID159981859
Molecular FormulaC317H205N23S3Si
Molecular Weight4460.57 g/mol
Exact Mass4456.57
IUPAC Name3-dibenzothiophen-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinolin-2-yl)carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1.c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4nccc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)n4)c3c2)cc1.c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3cc5c(cc34)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc43)n2)cc1
InChIInChI=1S/2C51H33N3.C46H33N3Si.C45H28N4S.C45H29N3.C40H25N3S.C39H24N4S/c1-3-14-34(15-4-1)35-16-13-17-38(30-35)43-33-51(52-46-23-10-7-20-40(43)46)54-48-25-12-9-22-42(48)45-32-37(27-29-50(45)54)36-26-28-49-44(31-36)41-21-8-11-24-47(41)53(49)39-18-5-2-6-19-39;1-3-13-34(14-4-1)35-23-25-36(26-24-35)43-33-51(52-46-20-10-7-17-40(43)46)54-48-22-12-9-19-42(48)45-32-38(28-30-50(45)54)37-27-29-49-44(31-37)41-18-8-11-21-47(41)53(49)39-15-5-2-6-16-39;1-5-16-34(17-6-1)35-28-29-42-41-26-13-14-27-44(41)49(45(42)33-35)46-47-31-30-43(48-46)36-18-15-25-40(32-36)50(37-19-7-2-8-20-37,38-21-9-3-10-22-38)39-23-11-4-12-24-39;1-3-13-29(14-4-1)43-46-44(30-15-5-2-6-16-30)48-45(47-43)49-39-23-9-7-19-35(39)36-26-25-32(28-40(36)49)31-17-11-18-33(27-31)34-21-12-22-38-37-20-8-10-24-41(37)50-42(34)38;1-3-13-30(14-4-1)37-29-45(46-40-20-10-7-17-34(37)40)48-42-22-12-9-19-36(42)39-28-32(24-26-44(39)48)31-23-25-43-38(27-31)35-18-8-11-21-41(35)47(43)33-15-5-2-6-16-33;1-3-12-26(13-4-1)34-25-35(27-14-5-2-6-15-27)42-40(41-34)43-36-20-9-7-16-30(36)33-24-28(22-23-37(33)43)29-18-11-19-32-31-17-8-10-21-38(31)44-39(29)32;1-4-13-25(14-5-1)37-40-38(26-15-6-2-7-16-26)42-39(41-37)30-21-12-20-29-32-23-31-28-19-10-11-22-33(28)43(27-17-8-3-9-18-27)34(31)24-35(32)44-36(29)30/h2*1-33H;1-33H;1-28H;1-29H;1-25H;1-24H
InChIKeyOFWHUYBXRWWHJM-UHFFFAOYSA-N
XLogP80.19
TPSA216.87 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds34
Heavy Atoms344
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004460.57
LogP ≤ 580.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 3-dibenzothiophen-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinolin-2-yl)carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane with MolForge

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Related Compounds

9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]-2-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole
CID 159055831
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
3-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 158689854
3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane
CID 159917326
9-[4-(3-carbazol-9-ylphenyl)-6-[3-[3-[4-[2-(3-dibenzothiophen-4-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]phenyl]phenyl]pyrimidin-2-yl]-3-dibenzothiophen-4-ylcarbazole
CID 163835526
3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 158682512
2-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-c]carbazole;3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-[4-(9-phenylcarbazol-2-yl)pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 160697794
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
3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane
CID 158762981
9-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-dibenzothiophen-4-ylcarbazole;2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole
CID 157312394
3-(4-tert-butylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)-[1]benzothiolo[3,2-c]carbazole;3-(4-tert-butylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;5-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 160571869
9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]-2,7-diphenylcarbazole
CID 118133186

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinolin-2-yl)carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane?
The IUPAC name of 3-dibenzothiophen-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinolin-2-yl)carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane (CID 159981859) is 3-dibenzothiophen-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinolin-2-yl)carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane.
What is the SMILES notation for 3-dibenzothiophen-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinolin-2-yl)carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane?
The canonical SMILES for 3-dibenzothiophen-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinolin-2-yl)carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1.c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4nccc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)n4)c3c2)cc1.c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3cc5c(cc34)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)cc43)n2)cc1.
What is the InChIKey of 3-dibenzothiophen-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinolin-2-yl)carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane?
The InChIKey is OFWHUYBXRWWHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H33N3.C46H33N3Si.C45H28N4S.C45H29N3.C40H25N3S.C39H24N4S/c1-3-14-34(15-4-1)35-16-13-17-38(30-35)43-33-51(52-46-23-10-7-20-40(43)46)54-48-25-12-9-22-42(48)45-32-37(27-29-50(45)54)36-26-28-49-44(31-36)41-21-8-11-24-47(41)53(49)39-18-5-2-6-19-39;1-3-13-34(14-4-1)35-23-25-36(26-24-35)43-33-51(52-46-20-10-7-17-40(43)46)54-48-22-12-9-19-42(48)45-32-38(28-30-50(45)54)37-27-29-49-44(31-37)41-18-8-11-21-47(41)53(49)39-15-5-2-6-16-39;1-5-16-34(17-6-1)35-28-29-42-41-26-13-14-27-44(41)49(45(42)33-35)46-47-31-30-43(48-46)36-18-15-25-40(32-36)50(37-19-7-2-8-20-37,38-21-9-3-10-22-38)39-23-11-4-12-24-39;1-3-13-29(14-4-1)43-46-44(30-15-5-2-6-16-30)48-45(47-43)49-39-23-9-7-19-35(39)36-26-25-32(28-40(36)49)31-17-11-18-33(27-31)34-21-12-22-38-37-20-8-10-24-41(37)50-42(34)38;1-3-13-30(14-4-1)37-29-45(46-40-20-10-7-17-34(37)40)48-42-22-12-9-19-36(42)39-28-32(24-26-44(39)48)31-23-25-43-38(27-31)35-18-8-11-21-41(35)47(43)33-15-5-2-6-16-33;1-3-12-26(13-4-1)34-25-35(27-14-5-2-6-15-27)42-40(41-34)43-36-20-9-7-16-30(36)33-24-28(22-23-37(33)43)29-18-11-19-32-31-17-8-10-21-38(31)44-39(29)32;1-4-13-25(14-5-1)37-40-38(26-15-6-2-7-16-26)42-39(41-37)30-21-12-20-29-32-23-31-28-19-10-11-22-33(28)43(27-17-8-3-9-18-27)34(31)24-35(32)44-36(29)30/h2*1-33H;1-33H;1-28H;1-29H;1-25H;1-24H.
What are the key properties of 3-dibenzothiophen-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinolin-2-yl)carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane?
3-dibenzothiophen-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinolin-2-yl)carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane has a molecular weight of 4460.57 g/mol, XLogP of 80.19, 34 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinolin-2-yl)carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane is sourced from PubChem (CID 159981859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).