3-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)-1-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-phenylbenzo[f]quinoline

C225H140N12O3S — CID 158297626

IUPAC3-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)-1-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-phenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cc(-c6ccccc6)nc6ccc7ccccc7c56)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cc(-c6ccccc6)nc6ccc7ccccc7c56)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cc(-c6ccccc6)nc6ccc7ccccc7c56)c4)n3)cc2)cc1
InChIInChI=1S/2C59H37N3O.C58H36N4O.C49H30N2S/c1-4-15-38(16-5-1)39-27-29-42(30-28-39)54-37-55(62-59(61-54)43-20-8-3-9-21-43)46-34-44(48-24-14-25-50-49-23-12-13-26-56(49)63-58(48)50)33-45(35-46)51-36-53(41-18-6-2-7-19-41)60-52-32-31-40-17-10-11-22-47(40)57(51)52;1-4-15-38(16-5-1)39-27-29-43(30-28-39)55-37-54(42-20-8-3-9-21-42)61-59(62-55)46-34-44(48-24-14-25-50-49-23-12-13-26-56(49)63-58(48)50)33-45(35-46)51-36-53(41-18-6-2-7-19-41)60-52-32-31-40-17-10-11-22-47(40)57(51)52;1-4-15-37(16-5-1)38-27-29-42(30-28-38)57-60-56(41-20-8-3-9-21-41)61-58(62-57)45-34-43(47-24-14-25-49-48-23-12-13-26-53(48)63-55(47)49)33-44(35-45)50-36-52(40-18-6-2-7-19-40)59-51-32-31-39-17-10-11-22-46(39)54(50)51;1-2-12-31(13-3-1)41-30-44(50-43-24-22-32-14-4-5-15-37(32)49(41)43)35-26-34(33-23-25-48-42(29-33)40-18-8-11-21-47(40)52-48)27-36(28-35)51-45-19-9-6-16-38(45)39-17-7-10-20-46(39)51/h2*1-37H;1-36H;1-30H
InChIKeyGMCJBFOLWLPBRW-UHFFFAOYSA-N
MW3091.74 g/mol
LogP60.49
Rot. Bonds25

About 3-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)-1-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-phenylbenzo[f]quinoline

3-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)-1-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-phenylbenzo[f]quinoline (PubChem CID 158297626) has the molecular formula C225H140N12O3S and a molecular weight of 3091.74 g/mol. Its IUPAC name is 3-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)-1-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-phenylbenzo[f]quinoline.

Molecular Properties

Compound Name3-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)-1-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-phenylbenzo[f]quinoline
PubChem CID158297626
Molecular FormulaC225H140N12O3S
Molecular Weight3091.74 g/mol
Exact Mass3089.09
IUPAC Name3-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)-1-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-phenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cc(-c6ccccc6)nc6ccc7ccccc7c56)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cc(-c6ccccc6)nc6ccc7ccccc7c56)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cc(-c6ccccc6)nc6ccc7ccccc7c56)c4)n3)cc2)cc1
InChIInChI=1S/2C59H37N3O.C58H36N4O.C49H30N2S/c1-4-15-38(16-5-1)39-27-29-42(30-28-39)54-37-55(62-59(61-54)43-20-8-3-9-21-43)46-34-44(48-24-14-25-50-49-23-12-13-26-56(49)63-58(48)50)33-45(35-46)51-36-53(41-18-6-2-7-19-41)60-52-32-31-40-17-10-11-22-47(40)57(51)52;1-4-15-38(16-5-1)39-27-29-43(30-28-39)55-37-54(42-20-8-3-9-21-42)61-59(62-55)46-34-44(48-24-14-25-50-49-23-12-13-26-56(49)63-58(48)50)33-45(35-46)51-36-53(41-18-6-2-7-19-41)60-52-32-31-40-17-10-11-22-47(40)57(51)52;1-4-15-37(16-5-1)38-27-29-42(30-28-38)57-60-56(41-20-8-3-9-21-41)61-58(62-57)45-34-43(47-24-14-25-49-48-23-12-13-26-53(48)63-55(47)49)33-44(35-45)50-36-52(40-18-6-2-7-19-40)59-51-32-31-39-17-10-11-22-46(39)54(50)51;1-2-12-31(13-3-1)41-30-44(50-43-24-22-32-14-4-5-15-37(32)49(41)43)35-26-34(33-23-25-48-42(29-33)40-18-8-11-21-47(40)52-48)27-36(28-35)51-45-19-9-6-16-38(45)39-17-7-10-20-46(39)51/h2*1-37H;1-36H;1-30H
InChIKeyGMCJBFOLWLPBRW-UHFFFAOYSA-N
XLogP60.49
TPSA186.14 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms241
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003091.74
LogP ≤ 560.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)-1-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-phenylbenzo[f]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)-1-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-phenylbenzo[f]quinoline?
The IUPAC name of 3-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)-1-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-phenylbenzo[f]quinoline (CID 158297626) is 3-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)-1-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-phenylbenzo[f]quinoline.
What is the SMILES notation for 3-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)-1-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-phenylbenzo[f]quinoline?
The canonical SMILES for 3-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)-1-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-phenylbenzo[f]quinoline is c1ccc(-c2cc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-n4c5ccccc5c5ccccc54)c3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cc(-c6ccccc6)nc6ccc7ccccc7c56)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cc(-c6ccccc6)nc6ccc7ccccc7c56)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cc(-c6ccccc6)nc6ccc7ccccc7c56)c4)n3)cc2)cc1.
What is the InChIKey of 3-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)-1-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-phenylbenzo[f]quinoline?
The InChIKey is GMCJBFOLWLPBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C59H37N3O.C58H36N4O.C49H30N2S/c1-4-15-38(16-5-1)39-27-29-42(30-28-39)54-37-55(62-59(61-54)43-20-8-3-9-21-43)46-34-44(48-24-14-25-50-49-23-12-13-26-56(49)63-58(48)50)33-45(35-46)51-36-53(41-18-6-2-7-19-41)60-52-32-31-40-17-10-11-22-47(40)57(51)52;1-4-15-38(16-5-1)39-27-29-43(30-28-39)55-37-54(42-20-8-3-9-21-42)61-59(62-55)46-34-44(48-24-14-25-50-49-23-12-13-26-56(49)63-58(48)50)33-45(35-46)51-36-53(41-18-6-2-7-19-41)60-52-32-31-40-17-10-11-22-47(40)57(51)52;1-4-15-37(16-5-1)38-27-29-42(30-28-38)57-60-56(41-20-8-3-9-21-41)61-58(62-57)45-34-43(47-24-14-25-49-48-23-12-13-26-53(48)63-55(47)49)33-44(35-45)50-36-52(40-18-6-2-7-19-40)59-51-32-31-39-17-10-11-22-46(39)54(50)51;1-2-12-31(13-3-1)41-30-44(50-43-24-22-32-14-4-5-15-37(32)49(41)43)35-26-34(33-23-25-48-42(29-33)40-18-8-11-21-47(40)52-48)27-36(28-35)51-45-19-9-6-16-38(45)39-17-7-10-20-46(39)51/h2*1-37H;1-36H;1-30H.
What are the key properties of 3-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)-1-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-phenylbenzo[f]quinoline?
3-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)-1-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-phenylbenzo[f]quinoline has a molecular weight of 3091.74 g/mol, XLogP of 60.49, 25 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbazol-9-yl-5-dibenzothiophen-2-ylphenyl)-1-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-phenylbenzo[f]quinoline is sourced from PubChem (CID 158297626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).