N-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-2-amine;N-(4-dibenzofuran-2-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-(4-quinolin-8-ylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylfluoren-9-yl)phenyl]benzo[h]quinolin-5-amine

C173H113N7O2S — CID 157499289

IUPACN-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-2-amine;N-(4-dibenzofuran-2-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-(4-quinolin-8-ylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylfluoren-9-yl)phenyl]benzo[h]quinolin-5-amine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(C2(c3cccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5cccc6cccnc56)cc4)c3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3cccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cc5ccccc5c5ncccc45)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C59H39N3O.C58H38N2O.C56H36N2S/c1-4-18-41(19-5-1)54-39-55(42-20-6-2-7-21-42)61-58(60-54)62(45-36-34-40(35-37-45)47-29-17-30-51-50-28-12-15-33-56(50)63-57(47)51)46-25-16-24-44(38-46)59(43-22-8-3-9-23-43)52-31-13-10-26-48(52)49-27-11-14-32-53(49)59;1-2-15-43(16-3-1)58(53-23-7-4-19-49(53)50-20-5-8-24-54(50)58)44-17-11-18-47(38-44)60(46-33-28-40(29-34-46)48-22-10-13-41-14-12-36-59-57(41)48)45-31-26-39(27-32-45)42-30-35-56-52(37-42)51-21-6-9-25-55(51)61-56;1-2-16-39(17-3-1)56(50-27-9-6-21-45(50)46-22-7-10-28-51(46)56)40-18-12-19-42(36-40)58(52-35-38-15-4-5-20-43(38)54-49(52)26-14-34-57-54)41-32-30-37(31-33-41)44-24-13-25-48-47-23-8-11-29-53(47)59-55(44)48/h1-39H;1-38H;1-36H
InChIKeyBYFDYZSRIVHLKG-UHFFFAOYSA-N
MW2353.92 g/mol
LogP45.77
Rot. Bonds21

About N-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-2-amine;N-(4-dibenzofuran-2-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-(4-quinolin-8-ylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylfluoren-9-yl)phenyl]benzo[h]quinolin-5-amine

N-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-2-amine;N-(4-dibenzofuran-2-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-(4-quinolin-8-ylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylfluoren-9-yl)phenyl]benzo[h]quinolin-5-amine (PubChem CID 157499289) has the molecular formula C173H113N7O2S and a molecular weight of 2353.92 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-2-amine;N-(4-dibenzofuran-2-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-(4-quinolin-8-ylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylfluoren-9-yl)phenyl]benzo[h]quinolin-5-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-2-amine;N-(4-dibenzofuran-2-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-(4-quinolin-8-ylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylfluoren-9-yl)phenyl]benzo[h]quinolin-5-amine
PubChem CID157499289
Molecular FormulaC173H113N7O2S
Molecular Weight2353.92 g/mol
Exact Mass2351.87
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-2-amine;N-(4-dibenzofuran-2-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-(4-quinolin-8-ylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylfluoren-9-yl)phenyl]benzo[h]quinolin-5-amine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(C2(c3cccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5cccc6cccnc56)cc4)c3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3cccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cc5ccccc5c5ncccc45)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C59H39N3O.C58H38N2O.C56H36N2S/c1-4-18-41(19-5-1)54-39-55(42-20-6-2-7-21-42)61-58(60-54)62(45-36-34-40(35-37-45)47-29-17-30-51-50-28-12-15-33-56(50)63-57(47)51)46-25-16-24-44(38-46)59(43-22-8-3-9-23-43)52-31-13-10-26-48(52)49-27-11-14-32-53(49)59;1-2-15-43(16-3-1)58(53-23-7-4-19-49(53)50-20-5-8-24-54(50)58)44-17-11-18-47(38-44)60(46-33-28-40(29-34-46)48-22-10-13-41-14-12-36-59-57(41)48)45-31-26-39(27-32-45)42-30-35-56-52(37-42)51-21-6-9-25-55(51)61-56;1-2-16-39(17-3-1)56(50-27-9-6-21-45(50)46-22-7-10-28-51(46)56)40-18-12-19-42(36-40)58(52-35-38-15-4-5-20-43(38)54-49(52)26-14-34-57-54)41-32-30-37(31-33-41)44-24-13-25-48-47-23-8-11-29-53(47)59-55(44)48/h1-39H;1-38H;1-36H
InChIKeyBYFDYZSRIVHLKG-UHFFFAOYSA-N
XLogP45.77
TPSA87.56 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms183
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002353.92
LogP ≤ 545.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-2-amine;N-(4-dibenzofuran-2-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-(4-quinolin-8-ylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylfluoren-9-yl)phenyl]benzo[h]quinolin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-2-amine;N-(4-dibenzofuran-2-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-(4-quinolin-8-ylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylfluoren-9-yl)phenyl]benzo[h]quinolin-5-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-2-amine;N-(4-dibenzofuran-2-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-(4-quinolin-8-ylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylfluoren-9-yl)phenyl]benzo[h]quinolin-5-amine (CID 157499289) is N-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-2-amine;N-(4-dibenzofuran-2-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-(4-quinolin-8-ylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylfluoren-9-yl)phenyl]benzo[h]quinolin-5-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-2-amine;N-(4-dibenzofuran-2-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-(4-quinolin-8-ylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylfluoren-9-yl)phenyl]benzo[h]quinolin-5-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-2-amine;N-(4-dibenzofuran-2-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-(4-quinolin-8-ylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylfluoren-9-yl)phenyl]benzo[h]quinolin-5-amine is c1ccc(-c2cc(-c3ccccc3)nc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)n2)cc1.c1ccc(C2(c3cccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5cccc6cccnc56)cc4)c3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3cccc(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cc5ccccc5c5ncccc45)c3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-2-amine;N-(4-dibenzofuran-2-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-(4-quinolin-8-ylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylfluoren-9-yl)phenyl]benzo[h]quinolin-5-amine?
The InChIKey is BYFDYZSRIVHLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3O.C58H38N2O.C56H36N2S/c1-4-18-41(19-5-1)54-39-55(42-20-6-2-7-21-42)61-58(60-54)62(45-36-34-40(35-37-45)47-29-17-30-51-50-28-12-15-33-56(50)63-57(47)51)46-25-16-24-44(38-46)59(43-22-8-3-9-23-43)52-31-13-10-26-48(52)49-27-11-14-32-53(49)59;1-2-15-43(16-3-1)58(53-23-7-4-19-49(53)50-20-5-8-24-54(50)58)44-17-11-18-47(38-44)60(46-33-28-40(29-34-46)48-22-10-13-41-14-12-36-59-57(41)48)45-31-26-39(27-32-45)42-30-35-56-52(37-42)51-21-6-9-25-55(51)61-56;1-2-16-39(17-3-1)56(50-27-9-6-21-45(50)46-22-7-10-28-51(46)56)40-18-12-19-42(36-40)58(52-35-38-15-4-5-20-43(38)54-49(52)26-14-34-57-54)41-32-30-37(31-33-41)44-24-13-25-48-47-23-8-11-29-53(47)59-55(44)48/h1-39H;1-38H;1-36H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-2-amine;N-(4-dibenzofuran-2-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-(4-quinolin-8-ylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylfluoren-9-yl)phenyl]benzo[h]quinolin-5-amine?
N-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-2-amine;N-(4-dibenzofuran-2-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-(4-quinolin-8-ylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylfluoren-9-yl)phenyl]benzo[h]quinolin-5-amine has a molecular weight of 2353.92 g/mol, XLogP of 45.77, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-2-amine;N-(4-dibenzofuran-2-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-(4-quinolin-8-ylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylfluoren-9-yl)phenyl]benzo[h]quinolin-5-amine is sourced from PubChem (CID 157499289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).