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

C148H95N9S — CID 159055831

IUPAC9-[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
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5nccc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)n5)c4c3)c2)cc1
InChIInChI=1S/2C51H33N3.C46H29N3S/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;1-2-11-30(12-3-1)31-13-8-14-32(27-31)33-23-24-38-37-17-4-6-21-42(37)49(43(38)29-33)46-47-26-25-41(48-46)35-16-9-15-34(28-35)36-19-10-20-40-39-18-5-7-22-44(39)50-45(36)40/h2*1-33H;1-29H
InChIKeyJXVRLCFOJBZPIN-UHFFFAOYSA-N
MW2031.52 g/mol
LogP39.47
Rot. Bonds15

About 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

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 (PubChem CID 159055831) has the molecular formula C148H95N9S and a molecular weight of 2031.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID159055831
Molecular FormulaC148H95N9S
Molecular Weight2031.52 g/mol
Exact Mass2029.74
IUPAC Name9-[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
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5nccc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)n5)c4c3)c2)cc1
InChIInChI=1S/2C51H33N3.C46H29N3S/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;1-2-11-30(12-3-1)31-13-8-14-32(27-31)33-23-24-38-37-17-4-6-21-42(37)49(43(38)29-33)46-47-26-25-41(48-46)35-16-9-15-34(28-35)36-19-10-20-40-39-18-5-7-22-44(39)50-45(36)40/h2*1-33H;1-29H
InChIKeyJXVRLCFOJBZPIN-UHFFFAOYSA-N
XLogP39.47
TPSA76.21 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002031.52
LogP ≤ 539.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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-(4,6-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
9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]-2,7-diphenylcarbazole
CID 118133186
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
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
9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole
CID 118133174
3-(9-phenylcarbazol-2-yl)-9-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 118028979
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
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-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-[4-(3-dibenzofuran-4-ylphenyl)pyrimidin-2-yl]carbazole;3-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 160557560
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3ccc4c5ccccc5n(-c5nccc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)n5)c4c3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is JXVRLCFOJBZPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H33N3.C46H29N3S/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;1-2-11-30(12-3-1)31-13-8-14-32(27-31)33-23-24-38-37-17-4-6-21-42(37)49(43(38)29-33)46-47-26-25-41(48-46)35-16-9-15-34(28-35)36-19-10-20-40-39-18-5-7-22-44(39)50-45(36)40/h2*1-33H;1-29H.
What are the key properties of 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?
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 has a molecular weight of 2031.52 g/mol, XLogP of 39.47, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159055831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).