4-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;4-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]-9-phenylcarbazole

C165H107N7S2 — CID 160757853

IUPAC4-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;4-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3cc4c(cc3-c3ccc5c(c3)c3ccccc3n5-c3ccccc3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc4c(cc3-c3ccc5c(c3)sc3ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc4c(cc3-c3ccc5sc6ccccc6c5c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C59H39N3.2C53H34N2S/c1-6-20-40(21-7-1)54-39-55(61-58(60-54)41-22-8-2-9-23-41)50-38-53-49(46-30-16-18-32-52(46)59(53,43-24-10-3-11-25-43)44-26-12-4-13-27-44)37-48(50)42-34-35-57-51(36-42)47-31-17-19-33-56(47)62(57)45-28-14-5-15-29-45;1-5-17-35(18-6-1)48-34-49(55-52(54-48)36-19-7-2-8-20-36)44-32-43-40-25-13-15-27-46(40)53(38-21-9-3-10-22-38,39-23-11-4-12-24-39)47(43)33-42(44)37-29-30-51-45(31-37)41-26-14-16-28-50(41)56-51;1-5-17-35(18-6-1)48-34-49(55-52(54-48)36-19-7-2-8-20-36)45-32-44-40-25-13-15-27-46(40)53(38-21-9-3-10-22-38,39-23-11-4-12-24-39)47(44)33-43(45)37-29-30-42-41-26-14-16-28-50(41)56-51(42)31-37/h1-39H;2*1-34H
InChIKeyRXQYLCUSATZLHE-UHFFFAOYSA-N
MW2251.85 g/mol
LogP42.36
Rot. Bonds19

About 4-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;4-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]-9-phenylcarbazole

4-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;4-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]-9-phenylcarbazole (PubChem CID 160757853) has the molecular formula C165H107N7S2 and a molecular weight of 2251.85 g/mol. Its IUPAC name is 4-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;4-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;4-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]-9-phenylcarbazole
PubChem CID160757853
Molecular FormulaC165H107N7S2
Molecular Weight2251.85 g/mol
Exact Mass2249.80
IUPAC Name4-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;4-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3cc4c(cc3-c3ccc5c(c3)c3ccccc3n5-c3ccccc3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc4c(cc3-c3ccc5c(c3)sc3ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc4c(cc3-c3ccc5sc6ccccc6c5c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C59H39N3.2C53H34N2S/c1-6-20-40(21-7-1)54-39-55(61-58(60-54)41-22-8-2-9-23-41)50-38-53-49(46-30-16-18-32-52(46)59(53,43-24-10-3-11-25-43)44-26-12-4-13-27-44)37-48(50)42-34-35-57-51(36-42)47-31-17-19-33-56(47)62(57)45-28-14-5-15-29-45;1-5-17-35(18-6-1)48-34-49(55-52(54-48)36-19-7-2-8-20-36)44-32-43-40-25-13-15-27-46(40)53(38-21-9-3-10-22-38,39-23-11-4-12-24-39)47(43)33-42(44)37-29-30-51-45(31-37)41-26-14-16-28-50(41)56-51;1-5-17-35(18-6-1)48-34-49(55-52(54-48)36-19-7-2-8-20-36)45-32-44-40-25-13-15-27-46(40)53(38-21-9-3-10-22-38,39-23-11-4-12-24-39)47(44)33-43(45)37-29-30-42-41-26-14-16-28-50(41)56-51(42)31-37/h1-39H;2*1-34H
InChIKeyRXQYLCUSATZLHE-UHFFFAOYSA-N
XLogP42.36
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms174
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002251.85
LogP ≤ 542.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;4-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]-9-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[7-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[8-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 160972461
2-[3-(4,6-diphenyl-2-pyridinyl)-9,9-diphenylfluoren-2-yl]-9-phenylcarbazole
CID 137413800
4-(4-dibenzothiophen-2-ylphenyl)-6-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603115
3-[4-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-9-phenylcarbazole
CID 167237296
2-[4-[6-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 167257271
4-(4-dibenzothiophen-3-ylphenyl)-6-[2-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171603348
4-(2-dibenzothiophen-2-ylphenyl)-6-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171602266
4-dibenzothiophen-3-yl-6-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602085
4-[3-(2-dibenzothiophen-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171601971
3-[7-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 70660998
4-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171602842
4-(2-dibenzothiophen-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603972

Frequently Asked Questions

What is the IUPAC name of 4-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;4-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]-9-phenylcarbazole?
The IUPAC name of 4-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;4-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]-9-phenylcarbazole (CID 160757853) is 4-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;4-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;4-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]-9-phenylcarbazole?
The canonical SMILES for 4-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;4-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3cc4c(cc3-c3ccc5c(c3)c3ccccc3n5-c3ccccc3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc4c(cc3-c3ccc5c(c3)sc3ccccc35)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc4c(cc3-c3ccc5sc6ccccc6c5c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;4-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]-9-phenylcarbazole?
The InChIKey is RXQYLCUSATZLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3.2C53H34N2S/c1-6-20-40(21-7-1)54-39-55(61-58(60-54)41-22-8-2-9-23-41)50-38-53-49(46-30-16-18-32-52(46)59(53,43-24-10-3-11-25-43)44-26-12-4-13-27-44)37-48(50)42-34-35-57-51(36-42)47-31-17-19-33-56(47)62(57)45-28-14-5-15-29-45;1-5-17-35(18-6-1)48-34-49(55-52(54-48)36-19-7-2-8-20-36)44-32-43-40-25-13-15-27-46(40)53(38-21-9-3-10-22-38,39-23-11-4-12-24-39)47(43)33-42(44)37-29-30-51-45(31-37)41-26-14-16-28-50(41)56-51;1-5-17-35(18-6-1)48-34-49(55-52(54-48)36-19-7-2-8-20-36)45-32-44-40-25-13-15-27-46(40)53(38-21-9-3-10-22-38,39-23-11-4-12-24-39)47(44)33-43(45)37-29-30-42-41-26-14-16-28-50(41)56-51(42)31-37/h1-39H;2*1-34H.
What are the key properties of 4-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;4-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]-9-phenylcarbazole?
4-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;4-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]-9-phenylcarbazole has a molecular weight of 2251.85 g/mol, XLogP of 42.36, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-dibenzothiophen-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;4-(2-dibenzothiophen-3-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine;3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 160757853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).