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

C220H138OS3 — CID 160940563

IUPAC4-[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
SMILESc1cc(-c2cc3ccccc3c3ccccc23)cc(C2(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccccc3-c3ccccc32)c1.c1cc(-c2ccc3ccc4cccc5ccc2c3c45)cc(C2(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccccc3-c3ccccc32)c1.c1cc(-c2cccc3ccccc23)cc(C2(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccccc3-c3ccccc32)c1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(C5(c6cccc(-c7cccc(-c8cccc9c8oc8ccccc89)c7)c6)c6ccccc6-c6ccccc65)c4)ccc23)cc1
InChIInChI=1S/C69H44O.C53H32S.C51H32S.C47H30S/c1-3-19-45(20-4-1)66-58-32-7-8-33-59(58)67(46-21-5-2-6-22-46)62-44-50(39-40-60(62)66)49-25-17-28-53(43-49)69(63-36-12-9-29-55(63)56-30-10-13-37-64(56)69)52-27-16-24-48(42-52)47-23-15-26-51(41-47)54-34-18-35-61-57-31-11-14-38-65(57)70-68(54)61;1-4-22-47-42(17-1)43-18-2-5-23-48(43)53(47,39-16-9-14-37(32-39)41-20-10-21-46-44-19-3-6-24-49(44)54-52(41)46)38-15-8-13-36(31-38)40-29-27-35-26-25-33-11-7-12-34-28-30-45(40)51(35)50(33)34;1-2-19-38-35(14-1)32-46(41-21-4-3-20-40(38)41)34-16-12-18-37(31-34)51(47-27-8-5-22-42(47)43-23-6-9-28-48(43)51)36-17-11-15-33(30-36)39-25-13-26-45-44-24-7-10-29-49(44)52-50(39)45;1-2-19-36-31(13-1)14-11-23-37(36)32-15-9-17-34(29-32)47(43-26-6-3-20-39(43)40-21-4-7-27-44(40)47)35-18-10-16-33(30-35)38-24-12-25-42-41-22-5-8-28-45(41)48-46(38)42/h1-44H;1-32H;1-32H;1-30H
InChIKeySULLSFVWSRKMRZ-UHFFFAOYSA-N
MW2893.72 g/mol
LogP60.20
Rot. Bonds19

About 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

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 (PubChem CID 160940563) has the molecular formula C220H138OS3 and a molecular weight of 2893.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID160940563
Molecular FormulaC220H138OS3
Molecular Weight2893.72 g/mol
Exact Mass2890.99
IUPAC Name4-[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
SMILESc1cc(-c2cc3ccccc3c3ccccc23)cc(C2(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccccc3-c3ccccc32)c1.c1cc(-c2ccc3ccc4cccc5ccc2c3c45)cc(C2(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccccc3-c3ccccc32)c1.c1cc(-c2cccc3ccccc23)cc(C2(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccccc3-c3ccccc32)c1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(C5(c6cccc(-c7cccc(-c8cccc9c8oc8ccccc89)c7)c6)c6ccccc6-c6ccccc65)c4)ccc23)cc1
InChIInChI=1S/C69H44O.C53H32S.C51H32S.C47H30S/c1-3-19-45(20-4-1)66-58-32-7-8-33-59(58)67(46-21-5-2-6-22-46)62-44-50(39-40-60(62)66)49-25-17-28-53(43-49)69(63-36-12-9-29-55(63)56-30-10-13-37-64(56)69)52-27-16-24-48(42-52)47-23-15-26-51(41-47)54-34-18-35-61-57-31-11-14-38-65(57)70-68(54)61;1-4-22-47-42(17-1)43-18-2-5-23-48(43)53(47,39-16-9-14-37(32-39)41-20-10-21-46-44-19-3-6-24-49(44)54-52(41)46)38-15-8-13-36(31-38)40-29-27-35-26-25-33-11-7-12-34-28-30-45(40)51(35)50(33)34;1-2-19-38-35(14-1)32-46(41-21-4-3-20-40(38)41)34-16-12-18-37(31-34)51(47-27-8-5-22-42(47)43-23-6-9-28-48(43)51)36-17-11-15-33(30-36)39-25-13-26-45-44-24-7-10-29-49(44)52-50(39)45;1-2-19-36-31(13-1)14-11-23-37(36)32-15-9-17-34(29-32)47(43-26-6-3-20-39(43)40-21-4-7-27-44(40)47)35-18-10-16-33(30-35)38-24-12-25-42-41-22-5-8-28-45(41)48-46(38)42/h1-44H;1-32H;1-32H;1-30H
InChIKeySULLSFVWSRKMRZ-UHFFFAOYSA-N
XLogP60.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms224
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002893.72
LogP ≤ 560.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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
2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;9-phenanthren-4-yl-10-(3-phenanthren-9-ylphenyl)anthracene;9-phenanthren-4-yl-10-(3-phenylphenyl)anthracene
CID 160988398
4-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381304
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425117
4-[3-[3-[9-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-[4-[9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-(9-phenylfluoren-9-yl)phenyl]-2,8-bis(3-phenylphenyl)dibenzothiophene
CID 161019280
2-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-2-yl]dibenzofuran;4-[6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-2-yl]dibenzofuran;4-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzothiophene;4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzothiophene;4-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzothiophene
CID 158929637
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran;2-[3-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenanthren-2-ylanthracen-9-yl)phenyl]dibenzothiophene
CID 160693939
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
9-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene;4-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]dibenzofuran;1-[3-(10-phenylanthracen-9-yl)phenyl]pyrene;9-phenyl-10-[3-(3-phenylphenyl)phenyl]anthracene;9-phenyl-10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracene
CID 159058585
4-(2'-dibenzothiophen-4-yl-9,9'-spirobi[fluorene]-2-yl)dibenzofuran
CID 59133493
9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene
CID 161193830

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2cc3ccccc3c3ccccc23)cc(C2(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccccc3-c3ccccc32)c1.c1cc(-c2ccc3ccc4cccc5ccc2c3c45)cc(C2(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccccc3-c3ccccc32)c1.c1cc(-c2cccc3ccccc23)cc(C2(c3cccc(-c4cccc5c4sc4ccccc45)c3)c3ccccc3-c3ccccc32)c1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(C5(c6cccc(-c7cccc(-c8cccc9c8oc8ccccc89)c7)c6)c6ccccc6-c6ccccc65)c4)ccc23)cc1.
What is the InChIKey of 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?
The InChIKey is SULLSFVWSRKMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44O.C53H32S.C51H32S.C47H30S/c1-3-19-45(20-4-1)66-58-32-7-8-33-59(58)67(46-21-5-2-6-22-46)62-44-50(39-40-60(62)66)49-25-17-28-53(43-49)69(63-36-12-9-29-55(63)56-30-10-13-37-64(56)69)52-27-16-24-48(42-52)47-23-15-26-51(41-47)54-34-18-35-61-57-31-11-14-38-65(57)70-68(54)61;1-4-22-47-42(17-1)43-18-2-5-23-48(43)53(47,39-16-9-14-37(32-39)41-20-10-21-46-44-19-3-6-24-49(44)54-52(41)46)38-15-8-13-36(31-38)40-29-27-35-26-25-33-11-7-12-34-28-30-45(40)51(35)50(33)34;1-2-19-38-35(14-1)32-46(41-21-4-3-20-40(38)41)34-16-12-18-37(31-34)51(47-27-8-5-22-42(47)43-23-6-9-28-48(43)51)36-17-11-15-33(30-36)39-25-13-26-45-44-24-7-10-29-49(44)52-50(39)45;1-2-19-36-31(13-1)14-11-23-37(36)32-15-9-17-34(29-32)47(43-26-6-3-20-39(43)40-21-4-7-27-44(40)47)35-18-10-16-33(30-35)38-24-12-25-42-41-22-5-8-28-45(41)48-46(38)42/h1-44H;1-32H;1-32H;1-30H.
What are the key properties of 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?
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 has a molecular weight of 2893.72 g/mol, XLogP of 60.20, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160940563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).