3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-4-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole

C180H114N6O2S — CID 163646485

IUPAC3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-4-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6-c6ccccc6)c6c5oc5ccccc56)cccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6-c6ccccc6)c6c5oc5ccccc56)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6-c6ccccc6)c6c5sc5ccccc56)c43)cc2)cc1
InChIInChI=1S/2C60H38N2O.C60H38N2S/c1-3-16-39(17-4-1)40-30-33-43(34-31-40)61-53-27-13-10-23-49(53)58-45(25-15-28-55(58)61)42-32-36-54-51(38-42)47-22-9-12-26-52(47)62(54)56-37-35-48(59-50-24-11-14-29-57(50)63-60(56)59)46-21-8-7-20-44(46)41-18-5-2-6-19-41;1-3-15-39(16-4-1)40-27-31-44(32-28-40)61-53-24-12-9-21-47(53)51-37-42(29-34-55(51)61)43-30-35-56-52(38-43)48-22-10-13-25-54(48)62(56)57-36-33-49(59-50-23-11-14-26-58(50)63-60(57)59)46-20-8-7-19-45(46)41-17-5-2-6-18-41;1-3-16-39(17-4-1)40-30-33-43(34-31-40)61-53-27-12-9-22-47(53)50-26-15-25-45(59(50)61)42-32-36-55-52(38-42)48-23-10-13-28-54(48)62(55)56-37-35-49(58-51-24-11-14-29-57(51)63-60(56)58)46-21-8-7-20-44(46)41-18-5-2-6-19-41/h3*1-38H
InChIKeyIIQNMVGWXGAMNC-UHFFFAOYSA-N
MW2425.00 g/mol
LogP49.81
Rot. Bonds18

About 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-4-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole

3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-4-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole (PubChem CID 163646485) has the molecular formula C180H114N6O2S and a molecular weight of 2425.00 g/mol. Its IUPAC name is 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-4-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-4-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole
PubChem CID163646485
Molecular FormulaC180H114N6O2S
Molecular Weight2425.00 g/mol
Exact Mass2422.87
IUPAC Name3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-4-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6-c6ccccc6)c6c5oc5ccccc56)cccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6-c6ccccc6)c6c5oc5ccccc56)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6-c6ccccc6)c6c5sc5ccccc56)c43)cc2)cc1
InChIInChI=1S/2C60H38N2O.C60H38N2S/c1-3-16-39(17-4-1)40-30-33-43(34-31-40)61-53-27-13-10-23-49(53)58-45(25-15-28-55(58)61)42-32-36-54-51(38-42)47-22-9-12-26-52(47)62(54)56-37-35-48(59-50-24-11-14-29-57(50)63-60(56)59)46-21-8-7-20-44(46)41-18-5-2-6-19-41;1-3-15-39(16-4-1)40-27-31-44(32-28-40)61-53-24-12-9-21-47(53)51-37-42(29-34-55(51)61)43-30-35-56-52(38-43)48-22-10-13-25-54(48)62(56)57-36-33-49(59-50-23-11-14-26-58(50)63-60(57)59)46-20-8-7-19-45(46)41-17-5-2-6-18-41;1-3-16-39(17-4-1)40-30-33-43(34-31-40)61-53-27-12-9-22-47(53)50-26-15-25-45(59(50)61)42-32-36-55-52(38-42)48-23-10-13-28-54(48)62(55)56-37-35-49(58-51-24-11-14-29-57(51)63-60(56)58)46-21-8-7-20-44(46)41-18-5-2-6-19-41/h3*1-38H
InChIKeyIIQNMVGWXGAMNC-UHFFFAOYSA-N
XLogP49.81
TPSA55.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms189
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002425.00
LogP ≤ 549.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-4-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-4-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole?
The IUPAC name of 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-4-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole (CID 163646485) is 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-4-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-4-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole?
The canonical SMILES for 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-4-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6-c6ccccc6)c6c5oc5ccccc56)cccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6-c6ccccc6)c6c5oc5ccccc56)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6-c6ccccc6)c6c5sc5ccccc56)c43)cc2)cc1.
What is the InChIKey of 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-4-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole?
The InChIKey is IIQNMVGWXGAMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H38N2O.C60H38N2S/c1-3-16-39(17-4-1)40-30-33-43(34-31-40)61-53-27-13-10-23-49(53)58-45(25-15-28-55(58)61)42-32-36-54-51(38-42)47-22-9-12-26-52(47)62(54)56-37-35-48(59-50-24-11-14-29-57(50)63-60(56)59)46-21-8-7-20-44(46)41-18-5-2-6-19-41;1-3-15-39(16-4-1)40-27-31-44(32-28-40)61-53-24-12-9-21-47(53)51-37-42(29-34-55(51)61)43-30-35-56-52(38-43)48-22-10-13-25-54(48)62(56)57-36-33-49(59-50-23-11-14-26-58(50)63-60(57)59)46-20-8-7-19-45(46)41-17-5-2-6-18-41;1-3-16-39(17-4-1)40-30-33-43(34-31-40)61-53-27-12-9-22-47(53)50-26-15-25-45(59(50)61)42-32-36-55-52(38-42)48-23-10-13-28-54(48)62(55)56-37-35-49(58-51-24-11-14-29-57(51)63-60(56)58)46-21-8-7-20-44(46)41-18-5-2-6-19-41/h3*1-38H.
What are the key properties of 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-4-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole?
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-4-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole has a molecular weight of 2425.00 g/mol, XLogP of 49.81, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-4-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;3-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 163646485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).