4-dibenzofuran-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(5-phenylfuran-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-triphenylen-2-ylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-pyren-1-ylaniline

C191H123N3O3S — CID 160774105

IUPAC4-dibenzofuran-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(5-phenylfuran-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-triphenylen-2-ylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-pyren-1-ylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cc3)o2)cc1.c1ccc(C2(c3ccc(N(c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccc(N(c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C67H43NO.C65H41NS.C59H39NO2/c1-2-15-47(16-3-1)67(63-26-11-8-21-58(63)59-22-9-12-27-64(59)67)48-34-40-51(41-35-48)68(50-38-31-45(32-39-50)52-24-14-25-61-60-23-10-13-28-65(60)69-66(52)61)49-36-29-44(30-37-49)46-33-42-57-55-19-5-4-17-53(55)54-18-6-7-20-56(54)62(57)43-46;1-2-14-47(15-3-1)65(59-21-7-4-16-54(59)55-17-5-8-22-60(55)65)48-32-38-51(39-33-48)66(50-36-28-43(29-37-50)53-19-11-20-58-56-18-6-9-23-61(56)67-64(53)58)49-34-26-42(27-35-49)52-40-30-46-25-24-44-12-10-13-45-31-41-57(52)63(46)62(44)45;1-3-14-41(15-4-1)55-38-39-56(61-55)42-28-34-46(35-29-42)60(45-32-26-40(27-33-45)48-21-13-22-52-51-20-9-12-25-57(51)62-58(48)52)47-36-30-44(31-37-47)59(43-16-5-2-6-17-43)53-23-10-7-18-49(53)50-19-8-11-24-54(50)59/h1-43H;1-41H;1-39H
InChIKeyRZSDPVCIUSBFQA-UHFFFAOYSA-N
MW2540.17 g/mol
LogP52.34
Rot. Bonds22

About 4-dibenzofuran-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(5-phenylfuran-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-triphenylen-2-ylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-pyren-1-ylaniline

4-dibenzofuran-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(5-phenylfuran-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-triphenylen-2-ylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-pyren-1-ylaniline (PubChem CID 160774105) has the molecular formula C191H123N3O3S and a molecular weight of 2540.17 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(5-phenylfuran-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-triphenylen-2-ylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-pyren-1-ylaniline.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(5-phenylfuran-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-triphenylen-2-ylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-pyren-1-ylaniline
PubChem CID160774105
Molecular FormulaC191H123N3O3S
Molecular Weight2540.17 g/mol
Exact Mass2537.93
IUPAC Name4-dibenzofuran-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(5-phenylfuran-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-triphenylen-2-ylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-pyren-1-ylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cc3)o2)cc1.c1ccc(C2(c3ccc(N(c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccc(N(c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C67H43NO.C65H41NS.C59H39NO2/c1-2-15-47(16-3-1)67(63-26-11-8-21-58(63)59-22-9-12-27-64(59)67)48-34-40-51(41-35-48)68(50-38-31-45(32-39-50)52-24-14-25-61-60-23-10-13-28-65(60)69-66(52)61)49-36-29-44(30-37-49)46-33-42-57-55-19-5-4-17-53(55)54-18-6-7-20-56(54)62(57)43-46;1-2-14-47(15-3-1)65(59-21-7-4-16-54(59)55-17-5-8-22-60(55)65)48-32-38-51(39-33-48)66(50-36-28-43(29-37-50)53-19-11-20-58-56-18-6-9-23-61(56)67-64(53)58)49-34-26-42(27-35-49)52-40-30-46-25-24-44-12-10-13-45-31-41-57(52)63(46)62(44)45;1-3-14-41(15-4-1)55-38-39-56(61-55)42-28-34-46(35-29-42)60(45-32-26-40(27-33-45)48-21-13-22-52-51-20-9-12-25-57(51)62-58(48)52)47-36-30-44(31-37-47)59(43-16-5-2-6-17-43)53-23-10-7-18-49(53)50-19-8-11-24-54(50)59/h1-43H;1-41H;1-39H
InChIKeyRZSDPVCIUSBFQA-UHFFFAOYSA-N
XLogP52.34
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms198
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002540.17
LogP ≤ 552.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-dibenzofuran-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(5-phenylfuran-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-triphenylen-2-ylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-pyren-1-ylaniline with MolForge

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Related Compounds

4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381304
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline
CID 158195164
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425117
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121424800
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 158068867
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 162198372
N-(4-dibenzofuran-4-ylphenyl)-3,5-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161165341
N-(4-dibenzothiophen-4-ylphenyl)-4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N,N-diphenyl-4-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)aniline;N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 158602959
4-[3-[3-[9-[3-(9,10-diphenylanthracen-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[3-[9-(3-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]dibenzothiophene;4-[3-[9-(3-phenanthren-9-ylphenyl)fluoren-9-yl]phenyl]dibenzothiophene;4-[3-[9-(3-pyren-1-ylphenyl)fluoren-9-yl]phenyl]dibenzothiophene
CID 160940563
4-(3-carbazol-9-ylphenyl)-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]aniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 159240665
N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593263
N,N-bis(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylfluoren-9-yl)aniline;4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylfluoren-9-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9-phenylfluoren-9-yl)aniline
CID 159982609

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(5-phenylfuran-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-triphenylen-2-ylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-pyren-1-ylaniline?
The IUPAC name of 4-dibenzofuran-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(5-phenylfuran-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-triphenylen-2-ylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-pyren-1-ylaniline (CID 160774105) is 4-dibenzofuran-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(5-phenylfuran-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-triphenylen-2-ylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-pyren-1-ylaniline.
What is the SMILES notation for 4-dibenzofuran-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(5-phenylfuran-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-triphenylen-2-ylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-pyren-1-ylaniline?
The canonical SMILES for 4-dibenzofuran-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(5-phenylfuran-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-triphenylen-2-ylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-pyren-1-ylaniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cc3)o2)cc1.c1ccc(C2(c3ccc(N(c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccc(N(c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)cc4)c4ccc(-c5cccc6c5sc5ccccc56)cc4)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(5-phenylfuran-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-triphenylen-2-ylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-pyren-1-ylaniline?
The InChIKey is RZSDPVCIUSBFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NO.C65H41NS.C59H39NO2/c1-2-15-47(16-3-1)67(63-26-11-8-21-58(63)59-22-9-12-27-64(59)67)48-34-40-51(41-35-48)68(50-38-31-45(32-39-50)52-24-14-25-61-60-23-10-13-28-65(60)69-66(52)61)49-36-29-44(30-37-49)46-33-42-57-55-19-5-4-17-53(55)54-18-6-7-20-56(54)62(57)43-46;1-2-14-47(15-3-1)65(59-21-7-4-16-54(59)55-17-5-8-22-60(55)65)48-32-38-51(39-33-48)66(50-36-28-43(29-37-50)53-19-11-20-58-56-18-6-9-23-61(56)67-64(53)58)49-34-26-42(27-35-49)52-40-30-46-25-24-44-12-10-13-45-31-41-57(52)63(46)62(44)45;1-3-14-41(15-4-1)55-38-39-56(61-55)42-28-34-46(35-29-42)60(45-32-26-40(27-33-45)48-21-13-22-52-51-20-9-12-25-57(51)62-58(48)52)47-36-30-44(31-37-47)59(43-16-5-2-6-17-43)53-23-10-7-18-49(53)50-19-8-11-24-54(50)59/h1-43H;1-41H;1-39H.
What are the key properties of 4-dibenzofuran-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(5-phenylfuran-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-triphenylen-2-ylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-pyren-1-ylaniline?
4-dibenzofuran-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(5-phenylfuran-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-triphenylen-2-ylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-pyren-1-ylaniline has a molecular weight of 2540.17 g/mol, XLogP of 52.34, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(5-phenylfuran-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-triphenylen-2-ylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-pyren-1-ylaniline is sourced from PubChem (CID 160774105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).