N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-triphenylen-2-ylphenyl)aniline

C168H105F7N6OS — CID 161211830

IUPACN-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-triphenylen-2-ylphenyl)aniline
SMILESFc1c(F)c(F)c(-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)c(F)c1F.Fc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.Fc1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C60H39FN2.C54H31F5N2S.C54H35FN2O/c61-46-28-18-40(19-29-46)41-20-30-48(31-21-41)62(49-32-22-42(23-33-49)44-26-36-55-53-14-5-4-12-51(53)52-13-6-7-15-54(52)57(55)38-44)50-34-24-43(25-35-50)45-27-37-60-58(39-45)56-16-8-9-17-59(56)63(60)47-10-2-1-3-11-47;55-50-49(51(56)53(58)54(59)52(50)57)34-18-26-40(27-19-34)60(39-24-16-33(17-25-39)36-20-28-43-42-11-5-7-13-47(42)62-48(43)31-36)38-22-14-32(15-23-38)35-21-29-46-44(30-35)41-10-4-6-12-45(41)61(46)37-8-2-1-3-9-37;55-42-24-14-36(15-25-42)37-16-26-44(27-17-37)56(46-30-20-39(21-31-46)41-22-32-49-48-11-5-7-13-53(48)58-54(49)35-41)45-28-18-38(19-29-45)40-23-33-52-50(34-40)47-10-4-6-12-51(47)57(52)43-8-2-1-3-9-43/h1-39H;1-31H;1-35H
InChIKeyUWIKCFIDRPNWOY-UHFFFAOYSA-N
MW2388.78 g/mol
LogP48.46
Rot. Bonds21

About N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-triphenylen-2-ylphenyl)aniline

N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-triphenylen-2-ylphenyl)aniline (PubChem CID 161211830) has the molecular formula C168H105F7N6OS and a molecular weight of 2388.78 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-triphenylen-2-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-triphenylen-2-ylphenyl)aniline
PubChem CID161211830
Molecular FormulaC168H105F7N6OS
Molecular Weight2388.78 g/mol
Exact Mass2386.80
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-triphenylen-2-ylphenyl)aniline
SMILESFc1c(F)c(F)c(-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)c(F)c1F.Fc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.Fc1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C60H39FN2.C54H31F5N2S.C54H35FN2O/c61-46-28-18-40(19-29-46)41-20-30-48(31-21-41)62(49-32-22-42(23-33-49)44-26-36-55-53-14-5-4-12-51(53)52-13-6-7-15-54(52)57(55)38-44)50-34-24-43(25-35-50)45-27-37-60-58(39-45)56-16-8-9-17-59(56)63(60)47-10-2-1-3-11-47;55-50-49(51(56)53(58)54(59)52(50)57)34-18-26-40(27-19-34)60(39-24-16-33(17-25-39)36-20-28-43-42-11-5-7-13-47(42)62-48(43)31-36)38-22-14-32(15-23-38)35-21-29-46-44(30-35)41-10-4-6-12-45(41)61(46)37-8-2-1-3-9-37;55-42-24-14-36(15-25-42)37-16-26-44(27-17-37)56(46-30-20-39(21-31-46)41-22-32-49-48-11-5-7-13-53(48)58-54(49)35-41)45-28-18-38(19-29-45)40-23-33-52-50(34-40)47-10-4-6-12-51(47)57(52)43-8-2-1-3-9-43/h1-39H;1-31H;1-35H
InChIKeyUWIKCFIDRPNWOY-UHFFFAOYSA-N
XLogP48.46
TPSA37.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms183
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002388.78
LogP ≤ 548.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-triphenylen-2-ylphenyl)aniline with MolForge

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
CID 90194020
N-(4-dibenzothiophen-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
CID 159762340
N-phenyl-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]dibenzofuran-3-amine
CID 129180955
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine
CID 129085164
4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-4-phenylaniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-phenylaniline
CID 162181990
4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline
CID 90193946
N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
CID 162144524
4-(6,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-phenylaniline
CID 161184897
3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170688567
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825
N-phenyl-N-[4-(16-phenyl-9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaen-20-yl)phenyl]dibenzothiophen-3-amine
CID 126718270

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-triphenylen-2-ylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-triphenylen-2-ylphenyl)aniline (CID 161211830) is N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-triphenylen-2-ylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-triphenylen-2-ylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-triphenylen-2-ylphenyl)aniline is Fc1c(F)c(F)c(-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)c(F)c1F.Fc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.Fc1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-triphenylen-2-ylphenyl)aniline?
The InChIKey is UWIKCFIDRPNWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39FN2.C54H31F5N2S.C54H35FN2O/c61-46-28-18-40(19-29-46)41-20-30-48(31-21-41)62(49-32-22-42(23-33-49)44-26-36-55-53-14-5-4-12-51(53)52-13-6-7-15-54(52)57(55)38-44)50-34-24-43(25-35-50)45-27-37-60-58(39-45)56-16-8-9-17-59(56)63(60)47-10-2-1-3-11-47;55-50-49(51(56)53(58)54(59)52(50)57)34-18-26-40(27-19-34)60(39-24-16-33(17-25-39)36-20-28-43-42-11-5-7-13-47(42)62-48(43)31-36)38-22-14-32(15-23-38)35-21-29-46-44(30-35)41-10-4-6-12-45(41)61(46)37-8-2-1-3-9-37;55-42-24-14-36(15-25-42)37-16-26-44(27-17-37)56(46-30-20-39(21-31-46)41-22-32-49-48-11-5-7-13-53(48)58-54(49)35-41)45-28-18-38(19-29-45)40-23-33-52-50(34-40)47-10-4-6-12-51(47)57(52)43-8-2-1-3-9-43/h1-39H;1-31H;1-35H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-triphenylen-2-ylphenyl)aniline?
N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-triphenylen-2-ylphenyl)aniline has a molecular weight of 2388.78 g/mol, XLogP of 48.46, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-triphenylen-2-ylphenyl)aniline is sourced from PubChem (CID 161211830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).