3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-yl-9H-fluoren-9-yl)-4-(4-dibenzothiophen-4-ylphenyl)pyrimidine;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole

C139H87N9OS2 — CID 157051548

IUPAC3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-yl-9H-fluoren-9-yl)-4-(4-dibenzothiophen-4-ylphenyl)pyrimidine;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)n2)cc1.c1ccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)cc2)cc1.c1ccc2c(c1)-c1cc(-c3cccc4c3sc3ccccc34)ccc1C2c1nccc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)n1
InChIInChI=1S/C52H34N4.C47H28N2S2.C40H25N3O/c1-3-12-35(13-4-1)36-22-24-37(25-23-36)38-14-11-15-41(32-38)47-30-31-53-52(54-47)56-49-21-10-8-19-44(49)46-34-40(27-29-51(46)56)39-26-28-50-45(33-39)43-18-7-9-20-48(43)55(50)42-16-5-2-6-17-42;1-2-12-36-33(9-1)40-27-30(32-14-8-16-39-35-11-4-6-18-43(35)51-46(32)39)23-24-37(40)44(36)47-48-26-25-41(49-47)29-21-19-28(20-22-29)31-13-7-15-38-34-10-3-5-17-42(34)50-45(31)38;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/h1-34H;1-27,44H;1-25H
InChIKeyAAGOSQFVWKUSRX-UHFFFAOYSA-N
MW1963.42 g/mol
LogP37.19
Rot. Bonds14

About 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-yl-9H-fluoren-9-yl)-4-(4-dibenzothiophen-4-ylphenyl)pyrimidine;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole

3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-yl-9H-fluoren-9-yl)-4-(4-dibenzothiophen-4-ylphenyl)pyrimidine;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole (PubChem CID 157051548) has the molecular formula C139H87N9OS2 and a molecular weight of 1963.42 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-yl-9H-fluoren-9-yl)-4-(4-dibenzothiophen-4-ylphenyl)pyrimidine;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-yl-9H-fluoren-9-yl)-4-(4-dibenzothiophen-4-ylphenyl)pyrimidine;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
PubChem CID157051548
Molecular FormulaC139H87N9OS2
Molecular Weight1963.42 g/mol
Exact Mass1961.65
IUPAC Name3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-yl-9H-fluoren-9-yl)-4-(4-dibenzothiophen-4-ylphenyl)pyrimidine;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)n2)cc1.c1ccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)cc2)cc1.c1ccc2c(c1)-c1cc(-c3cccc4c3sc3ccccc34)ccc1C2c1nccc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)n1
InChIInChI=1S/C52H34N4.C47H28N2S2.C40H25N3O/c1-3-12-35(13-4-1)36-22-24-37(25-23-36)38-14-11-15-41(32-38)47-30-31-53-52(54-47)56-49-21-10-8-19-44(49)46-34-40(27-29-51(46)56)39-26-28-50-45(33-39)43-18-7-9-20-48(43)55(50)42-16-5-2-6-17-42;1-2-12-36-33(9-1)40-27-30(32-14-8-16-39-35-11-4-6-18-43(35)51-46(32)39)23-24-37(40)44(36)47-48-26-25-41(49-47)29-21-19-28(20-22-29)31-13-7-15-38-34-10-3-5-17-42(34)50-45(31)38;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/h1-34H;1-27,44H;1-25H
InChIKeyAAGOSQFVWKUSRX-UHFFFAOYSA-N
XLogP37.19
TPSA105.27 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001963.42
LogP ≤ 537.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-yl-9H-fluoren-9-yl)-4-(4-dibenzothiophen-4-ylphenyl)pyrimidine;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole with MolForge

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Related Compounds

18-(4-Dibenzofuran-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-22-fluoro-5-isoquinolin-5-yl-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19(24),20,22-undecaene
CID 134276447
2-[6-[4-(4-Tert-butylphenyl)-6-[8-[6-[4-[6-[2-(3-fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-2-yl]-6-phenyldibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]quinazoline
CID 148308671
2-[2-[6-[4-(2,3,4,5,6-Pentafluorophenyl)-6-[6-(2-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]isoindole
CID 155096654
9-[4-[4-(4-Dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]carbazole;9-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)carbazole;9-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)carbazole;8-[4-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 160034025
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264
Benzene;benzonitrile;1,1'-biphenyl;tetrakis(tert-butylbenzene);9-tert-butylcarbazole;dibenzofuran;dibenzothiophene;9,9-dimethylfluorene;hexadecakis(2,2-dimethylpropane);fluorobenzene;4-methylpyridine;2-methylpyrimidine;naphthalene;phenanthrene;bis(pyridine);bis(pyrimidine);toluene;trifluoromethylbenzene
CID 164951135
4-[3-(4-Cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile
CID 164964375
4-[3-[8-[3-[4,6-Bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 57958245
9-[8-[4,6-Di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
CID 57958351
9-[3-[8-(3-Carbazol-9-ylphenyl)dibenzofuran-2-yl]phenyl]-3-(5-pyrimidin-2-yl-3-pyridinyl)carbazole
CID 57958399
8-[3-[8-[6-Dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58058980
3-[3-[3-[8-Dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole
CID 58059158

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-yl-9H-fluoren-9-yl)-4-(4-dibenzothiophen-4-ylphenyl)pyrimidine;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-yl-9H-fluoren-9-yl)-4-(4-dibenzothiophen-4-ylphenyl)pyrimidine;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole (CID 157051548) is 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-yl-9H-fluoren-9-yl)-4-(4-dibenzothiophen-4-ylphenyl)pyrimidine;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-yl-9H-fluoren-9-yl)-4-(4-dibenzothiophen-4-ylphenyl)pyrimidine;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-yl-9H-fluoren-9-yl)-4-(4-dibenzothiophen-4-ylphenyl)pyrimidine;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)n2)cc1.c1ccc(-c2ccc(-c3cccc(-c4ccnc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)n4)c3)cc2)cc1.c1ccc2c(c1)-c1cc(-c3cccc4c3sc3ccccc34)ccc1C2c1nccc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)n1.
What is the InChIKey of 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-yl-9H-fluoren-9-yl)-4-(4-dibenzothiophen-4-ylphenyl)pyrimidine;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?
The InChIKey is AAGOSQFVWKUSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4.C47H28N2S2.C40H25N3O/c1-3-12-35(13-4-1)36-22-24-37(25-23-36)38-14-11-15-41(32-38)47-30-31-53-52(54-47)56-49-21-10-8-19-44(49)46-34-40(27-29-51(46)56)39-26-28-50-45(33-39)43-18-7-9-20-48(43)55(50)42-16-5-2-6-17-42;1-2-12-36-33(9-1)40-27-30(32-14-8-16-39-35-11-4-6-18-43(35)51-46(32)39)23-24-37(40)44(36)47-48-26-25-41(49-47)29-21-19-28(20-22-29)31-13-7-15-38-34-10-3-5-17-42(34)50-45(31)38;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/h1-34H;1-27,44H;1-25H.
What are the key properties of 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-yl-9H-fluoren-9-yl)-4-(4-dibenzothiophen-4-ylphenyl)pyrimidine;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?
3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-yl-9H-fluoren-9-yl)-4-(4-dibenzothiophen-4-ylphenyl)pyrimidine;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole has a molecular weight of 1963.42 g/mol, XLogP of 37.19, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;2-(3-dibenzothiophen-4-yl-9H-fluoren-9-yl)-4-(4-dibenzothiophen-4-ylphenyl)pyrimidine;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole is sourced from PubChem (CID 157051548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).