4-(3-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine

C175H112N12S4 — CID 158317746

IUPAC4-(3-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4sc5ccccc5c4n3)cc21.c1cc(-c2ccc(-c3cccc(-c4ncnc5c4sc4ccccc45)c3)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.c1cc(-c2cccc(-c3ncnc4c3sc3ccccc34)c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cccc(-c4ncnc5c4sc4ccccc45)c3)cc2)cc1
InChIInChI=1S/2C46H29N3S.C43H29N3S.C40H25N3S/c1-4-16-41-38(13-1)39-14-2-5-17-42(39)49(41)37-25-23-32(24-26-37)34-10-7-9-33(27-34)30-19-21-31(22-20-30)35-11-8-12-36(28-35)44-46-45(48-29-47-44)40-15-3-6-18-43(40)50-46;1-3-10-30(11-4-1)34-20-24-41-39(27-34)40-28-35(31-12-5-2-6-13-31)21-25-42(40)49(41)37-22-18-32(19-23-37)33-14-9-15-36(26-33)44-46-45(48-29-47-44)38-16-7-8-17-43(38)50-46;1-43(2)34-18-7-3-14-29(34)30-23-22-27(25-35(30)43)42-44-39(41-40(45-42)33-17-6-10-21-38(33)47-41)26-12-11-13-28(24-26)46-36-19-8-4-15-31(36)32-16-5-9-20-37(32)46;1-4-19-35-32(16-1)33-17-2-5-20-36(33)43(35)31-15-9-13-29(24-31)27-11-7-10-26(22-27)28-12-8-14-30(23-28)38-40-39(42-25-41-38)34-18-3-6-21-37(34)44-40/h2*1-29H;3-25H,1-2H3;1-25H
InChIKeyGOLXLYZENWFZIV-UHFFFAOYSA-N
MW2511.17 g/mol
LogP47.74
Rot. Bonds17

About 4-(3-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine

4-(3-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 158317746) has the molecular formula C175H112N12S4 and a molecular weight of 2511.17 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID158317746
Molecular FormulaC175H112N12S4
Molecular Weight2511.17 g/mol
Exact Mass2508.80
IUPAC Name4-(3-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4sc5ccccc5c4n3)cc21.c1cc(-c2ccc(-c3cccc(-c4ncnc5c4sc4ccccc45)c3)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.c1cc(-c2cccc(-c3ncnc4c3sc3ccccc34)c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cccc(-c4ncnc5c4sc4ccccc45)c3)cc2)cc1
InChIInChI=1S/2C46H29N3S.C43H29N3S.C40H25N3S/c1-4-16-41-38(13-1)39-14-2-5-17-42(39)49(41)37-25-23-32(24-26-37)34-10-7-9-33(27-34)30-19-21-31(22-20-30)35-11-8-12-36(28-35)44-46-45(48-29-47-44)40-15-3-6-18-43(40)50-46;1-3-10-30(11-4-1)34-20-24-41-39(27-34)40-28-35(31-12-5-2-6-13-31)21-25-42(40)49(41)37-22-18-32(19-23-37)33-14-9-15-36(26-33)44-46-45(48-29-47-44)38-16-7-8-17-43(38)50-46;1-43(2)34-18-7-3-14-29(34)30-23-22-27(25-35(30)43)42-44-39(41-40(45-42)33-17-6-10-21-38(33)47-41)26-12-11-13-28(24-26)46-36-19-8-4-15-31(36)32-16-5-9-20-37(32)46;1-4-19-35-32(16-1)33-17-2-5-20-36(33)43(35)31-15-9-13-29(24-31)27-11-7-10-26(22-27)28-12-8-14-30(23-28)38-40-39(42-25-41-38)34-18-3-6-21-37(34)44-40/h2*1-29H;3-25H,1-2H3;1-25H
InChIKeyGOLXLYZENWFZIV-UHFFFAOYSA-N
XLogP47.74
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002511.17
LogP ≤ 547.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-(3-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Related Compounds

2-(3-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;ethane
CID 144884626
4-phenyl-2-[3-(3-phenylcarbazol-9-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 154626603
2-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 130333901
2-[3-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 163783705
2-[3-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 158148517
2-(9-phenylcarbazol-3-yl)-4-spiro[fluorene-9,9'-xanthene]-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 170928875
2-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 130333806
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
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852
4-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 153028480
4-[3-[3-(6,9-diphenylcarbazol-4-yl)phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 158095257

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine (CID 158317746) is 4-(3-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4sc5ccccc5c4n3)cc21.c1cc(-c2ccc(-c3cccc(-c4ncnc5c4sc4ccccc45)c3)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.c1cc(-c2cccc(-c3ncnc4c3sc3ccccc34)c2)cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cccc(-c4ncnc5c4sc4ccccc45)c3)cc2)cc1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is GOLXLYZENWFZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H29N3S.C43H29N3S.C40H25N3S/c1-4-16-41-38(13-1)39-14-2-5-17-42(39)49(41)37-25-23-32(24-26-37)34-10-7-9-33(27-34)30-19-21-31(22-20-30)35-11-8-12-36(28-35)44-46-45(48-29-47-44)40-15-3-6-18-43(40)50-46;1-3-10-30(11-4-1)34-20-24-41-39(27-34)40-28-35(31-12-5-2-6-13-31)21-25-42(40)49(41)37-22-18-32(19-23-37)33-14-9-15-36(26-33)44-46-45(48-29-47-44)38-16-7-8-17-43(38)50-46;1-43(2)34-18-7-3-14-29(34)30-23-22-27(25-35(30)43)42-44-39(41-40(45-42)33-17-6-10-21-38(33)47-41)26-12-11-13-28(24-26)46-36-19-8-4-15-31(36)32-16-5-9-20-37(32)46;1-4-19-35-32(16-1)33-17-2-5-20-36(33)43(35)31-15-9-13-29(24-31)27-11-7-10-26(22-27)28-12-8-14-30(23-28)38-40-39(42-25-41-38)34-18-3-6-21-37(34)44-40/h2*1-29H;3-25H,1-2H3;1-25H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine?
4-(3-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2511.17 g/mol, XLogP of 47.74, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine;4-[3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 158317746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).