3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole

C138H86N6O2S — CID 161380088

IUPAC3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6oc7ccccc7c56)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1
InChIInChI=1S/2C48H30N2O.C42H26N2S/c1-2-11-31(12-3-1)32-21-25-35(26-22-32)49-41-16-7-4-13-36(41)39-29-33(23-27-43(39)49)34-24-28-44-40(30-34)37-14-5-8-17-42(37)50(44)45-18-10-20-47-48(45)38-15-6-9-19-46(38)51-47;1-2-10-31(11-3-1)32-18-22-35(23-19-32)49-43-15-7-4-12-37(43)40-28-33(20-25-45(40)49)34-21-26-46-41(29-34)38-13-5-8-16-44(38)50(46)36-24-27-48-42(30-36)39-14-6-9-17-47(39)51-48;1-2-11-29(12-3-1)43-36-17-7-4-13-30(36)34-25-27(21-23-38(34)43)28-22-24-39-35(26-28)31-14-5-8-18-37(31)44(39)40-19-10-16-33-32-15-6-9-20-41(32)45-42(33)40/h2*1-30H;1-26H
InChIKeyVRPKWBDARFNPPA-UHFFFAOYSA-N
MW1892.31 g/mol
LogP38.14
Rot. Bonds11

About 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole

3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole (PubChem CID 161380088) has the molecular formula C138H86N6O2S and a molecular weight of 1892.31 g/mol. Its IUPAC name is 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole
PubChem CID161380088
Molecular FormulaC138H86N6O2S
Molecular Weight1892.31 g/mol
Exact Mass1890.65
IUPAC Name3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6oc7ccccc7c56)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1
InChIInChI=1S/2C48H30N2O.C42H26N2S/c1-2-11-31(12-3-1)32-21-25-35(26-22-32)49-41-16-7-4-13-36(41)39-29-33(23-27-43(39)49)34-24-28-44-40(30-34)37-14-5-8-17-42(37)50(44)45-18-10-20-47-48(45)38-15-6-9-19-46(38)51-47;1-2-10-31(11-3-1)32-18-22-35(23-19-32)49-43-15-7-4-12-37(43)40-28-33(20-25-45(40)49)34-21-26-46-41(29-34)38-13-5-8-16-44(38)50(46)36-24-27-48-42(30-36)39-14-6-9-17-47(39)51-48;1-2-11-29(12-3-1)43-36-17-7-4-13-30(36)34-25-27(21-23-38(34)43)28-22-24-39-35(26-28)31-14-5-8-18-37(31)44(39)40-19-10-16-33-32-15-6-9-20-41(32)45-42(33)40/h2*1-30H;1-26H
InChIKeyVRPKWBDARFNPPA-UHFFFAOYSA-N
XLogP38.14
TPSA55.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001892.31
LogP ≤ 538.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole with MolForge

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Related Compounds

3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 167557887
3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 158805799
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole
CID 159781262
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
5-dibenzofuran-4-yl-2-phenyl-[1]benzofuro[3,2-c]carbazole;5-dibenzothiophen-4-yl-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(6,9-diphenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 158788066
9-dibenzofuran-2-yl-3-dibenzothiophen-2-ylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3,9-di(dibenzothiophen-2-yl)carbazole
CID 158258330
3-[3-(3-carbazol-9-ylphenyl)phenyl]-9-dibenzofuran-1-ylcarbazole;3-(3-carbazol-9-yl-5-phenylphenyl)-9-dibenzofuran-1-ylcarbazole;3-[3-(3-carbazol-9-ylphenyl)phenyl]-9-dibenzothiophen-1-ylcarbazole
CID 159327948
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159055285
3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(4-phenyldibenzothiophen-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 163611477
3-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 155379459
9-dibenzofuran-4-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-2-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-4-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-phenyl-3-[3-(3-triphenylen-2-ylphenyl)carbazol-9-yl]carbazole
CID 158857501
3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole?
The IUPAC name of 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole (CID 161380088) is 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6oc7ccccc7c56)ccc43)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1.
What is the InChIKey of 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole?
The InChIKey is VRPKWBDARFNPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H30N2O.C42H26N2S/c1-2-11-31(12-3-1)32-21-25-35(26-22-32)49-41-16-7-4-13-36(41)39-29-33(23-27-43(39)49)34-24-28-44-40(30-34)37-14-5-8-17-42(37)50(44)45-18-10-20-47-48(45)38-15-6-9-19-46(38)51-47;1-2-10-31(11-3-1)32-18-22-35(23-19-32)49-43-15-7-4-12-37(43)40-28-33(20-25-45(40)49)34-21-26-46-41(29-34)38-13-5-8-16-44(38)50(46)36-24-27-48-42(30-36)39-14-6-9-17-47(39)51-48;1-2-11-29(12-3-1)43-36-17-7-4-13-30(36)34-25-27(21-23-38(34)43)28-22-24-39-35(26-28)31-14-5-8-18-37(31)44(39)40-19-10-16-33-32-15-6-9-20-41(32)45-42(33)40/h2*1-30H;1-26H.
What are the key properties of 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole?
3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole has a molecular weight of 1892.31 g/mol, XLogP of 38.14, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole is sourced from PubChem (CID 161380088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).