2-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline

C186H120N14S3 — CID 162266130

IUPAC2-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(-c4ccc5ccccc5c4)cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc3cc21.c1ccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6ccc(-c7cccc8c7sc7ccccc78)cc65)n4)c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4ccnc(-n5c6ccccc6c6ccc(-c7cccc8c7sc7ccccc78)cc65)n4)cc3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6cccc7c6sc6ccccc67)cc54)n3)c2)cc1
InChIInChI=1S/C49H34N4.2C46H29N3S.C45H28N4S/c1-49(2)42-23-12-11-22-38(42)40-28-41-39(35-25-24-31-14-9-10-19-34(31)26-35)29-44(50-45(41)30-43(40)49)36-20-13-21-37(27-36)48-52-46(32-15-5-3-6-16-32)51-47(53-48)33-17-7-4-8-18-33;1-2-10-30(11-3-1)33-12-8-13-34(28-33)31-20-22-32(23-21-31)41-26-27-47-46(48-41)49-42-18-6-4-14-37(42)38-25-24-35(29-43(38)49)36-16-9-17-40-39-15-5-7-19-44(39)50-45(36)40;1-2-10-30(11-3-1)31-20-22-32(23-21-31)33-12-8-13-35(28-33)41-26-27-47-46(48-41)49-42-18-6-4-14-37(42)38-25-24-34(29-43(38)49)36-16-9-17-40-39-15-5-7-19-44(39)50-45(36)40;1-3-13-29(14-4-1)31-17-11-18-33(27-31)44-46-43(30-15-5-2-6-16-30)47-45(48-44)49-39-23-9-7-19-35(39)36-26-25-32(28-40(36)49)34-21-12-22-38-37-20-8-10-24-41(37)50-42(34)38/h3-30H,1-2H3;2*1-29H;1-28H
InChIKeyZZXSOVAUSCCMLJ-UHFFFAOYSA-N
MW2647.30 g/mol
LogP49.44
Rot. Bonds20

About 2-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline

2-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline (PubChem CID 162266130) has the molecular formula C186H120N14S3 and a molecular weight of 2647.30 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline
PubChem CID162266130
Molecular FormulaC186H120N14S3
Molecular Weight2647.30 g/mol
Exact Mass2644.90
IUPAC Name2-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c(-c4ccc5ccccc5c4)cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc3cc21.c1ccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6ccc(-c7cccc8c7sc7ccccc78)cc65)n4)c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4ccnc(-n5c6ccccc6c6ccc(-c7cccc8c7sc7ccccc78)cc65)n4)cc3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6cccc7c6sc6ccccc67)cc54)n3)c2)cc1
InChIInChI=1S/C49H34N4.2C46H29N3S.C45H28N4S/c1-49(2)42-23-12-11-22-38(42)40-28-41-39(35-25-24-31-14-9-10-19-34(31)26-35)29-44(50-45(41)30-43(40)49)36-20-13-21-37(27-36)48-52-46(32-15-5-3-6-16-32)51-47(53-48)33-17-7-4-8-18-33;1-2-10-30(11-3-1)33-12-8-13-34(28-33)31-20-22-32(23-21-31)41-26-27-47-46(48-41)49-42-18-6-4-14-37(42)38-25-24-35(29-43(38)49)36-16-9-17-40-39-15-5-7-19-44(39)50-45(36)40;1-2-10-30(11-3-1)31-20-22-32(23-21-31)33-12-8-13-35(28-33)41-26-27-47-46(48-41)49-42-18-6-4-14-37(42)38-25-24-34(29-43(38)49)36-16-9-17-40-39-15-5-7-19-44(39)50-45(36)40;1-3-13-29(14-4-1)31-17-11-18-33(27-31)44-46-43(30-15-5-2-6-16-30)47-45(48-44)49-39-23-9-7-19-35(39)36-26-25-32(28-40(36)49)34-21-12-22-38-37-20-8-10-24-41(37)50-42(34)38/h3-30H,1-2H3;2*1-29H;1-28H
InChIKeyZZXSOVAUSCCMLJ-UHFFFAOYSA-N
XLogP49.44
TPSA156.58 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002647.30
LogP ≤ 549.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline with MolForge

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Related Compounds

20-Fluoro-7-isoquinolin-5-yl-24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 132184366
5-Fluoro-20-isoquinolin-5-yl-9-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene
CID 134182650
8-(7,7-Dimethylindeno[1,2-a]carbazol-12-yl)-2-(4-fluorophenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 139422370
19-Fluoro-7-isoquinolin-5-yl-24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 146368740
3-[1-[4-[3,6-Bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 155233312
2,7-Bis[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 157102012
2-[1-(4-Tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[3,2-d]pyrimidin-3-ium
CID 157110986
2-(5,7-dimethyl-1H-naphthalen-1-id-2-yl)pyridine;2,4-diphenyl-6-(2-phenyl-4-pyridinyl)-1,3,5-triazine;bis(iridium);2-phenylbenzo[h]quinazoline;3-phenyl-8-(trifluoromethyl)benzo[f]quinazoline
CID 157757534
1-(3,5-Dimethylbenzene-6-id-1-yl)isoquinoline;tris(iridium);3-phenylisoquinoline;4-phenyl-2-phenylpyridine;3-phenylpyrido[4,3-f]quinazoline;2-phenylpyrido[3,4-h]quinazoline;3-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrido[4,3-f]quinazoline
CID 158052808
3,6-Dimethyl-4-(2-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;3,7-dimethyl-4-(2-methylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;6-(2,2-dimethylpropyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;4-[5-(2,2-dimethylpropyl)-2-methylphenyl]-3-methylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium;3-methyl-4-(2-methylphenyl)-8-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium
CID 158255015
9-[4-Dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2-methylphenyl)carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 158339769
9-[4-Dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-dimethylphenyl)carbazole;9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 158388094

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline?
The IUPAC name of 2-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline (CID 162266130) is 2-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline.
What is the SMILES notation for 2-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline?
The canonical SMILES for 2-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline is CC1(C)c2ccccc2-c2cc3c(-c4ccc5ccccc5c4)cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)nc3cc21.c1ccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6ccc(-c7cccc8c7sc7ccccc78)cc65)n4)c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4ccnc(-n5c6ccccc6c6ccc(-c7cccc8c7sc7ccccc78)cc65)n4)cc3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6cccc7c6sc6ccccc67)cc54)n3)c2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline?
The InChIKey is ZZXSOVAUSCCMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4.2C46H29N3S.C45H28N4S/c1-49(2)42-23-12-11-22-38(42)40-28-41-39(35-25-24-31-14-9-10-19-34(31)26-35)29-44(50-45(41)30-43(40)49)36-20-13-21-37(27-36)48-52-46(32-15-5-3-6-16-32)51-47(53-48)33-17-7-4-8-18-33;1-2-10-30(11-3-1)33-12-8-13-34(28-33)31-20-22-32(23-21-31)41-26-27-47-46(48-41)49-42-18-6-4-14-37(42)38-25-24-35(29-43(38)49)36-16-9-17-40-39-15-5-7-19-44(39)50-45(36)40;1-2-10-30(11-3-1)31-20-22-32(23-21-31)33-12-8-13-35(28-33)41-26-27-47-46(48-41)49-42-18-6-4-14-37(42)38-25-24-34(29-43(38)49)36-16-9-17-40-39-15-5-7-19-44(39)50-45(36)40;1-3-13-29(14-4-1)31-17-11-18-33(27-31)44-46-43(30-15-5-2-6-16-30)47-45(48-44)49-39-23-9-7-19-35(39)36-26-25-32(28-40(36)49)34-21-12-22-38-37-20-8-10-24-41(37)50-42(34)38/h3-30H,1-2H3;2*1-29H;1-28H.
What are the key properties of 2-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline?
2-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline has a molecular weight of 2647.30 g/mol, XLogP of 49.44, 20 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethyl-4-naphthalen-2-ylindeno[1,2-g]quinoline is sourced from PubChem (CID 162266130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).