N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-7-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N,8-diphenyl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine

C162H109N3OS2 — CID 159857807

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-7-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N,8-diphenyl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4sc5cc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)ccc5c4c3)cc21.c1ccc(-c2ccc3oc4c(N(c5ccccc5)c5ccccc5C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc4c3c2)cc1.c1ccc(C2(c3ccccc3N(c3cccc4ccccc34)c3cccc4c3sc3ccccc34)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C66H45NS.C49H33NO.C47H31NS/c1-65(2)59-24-11-8-21-53(59)56-35-31-50(41-62(56)65)67(48-30-34-52-45(38-48)28-27-42-15-6-7-20-51(42)52)49-32-36-63-58(40-49)57-33-29-44(39-64(57)68-63)43-16-14-19-47(37-43)66(46-17-4-3-5-18-46)60-25-12-9-22-54(60)55-23-10-13-26-61(55)66;1-4-17-34(18-5-1)35-31-32-47-41(33-35)40-25-16-30-46(48(40)51-47)50(37-21-8-3-9-22-37)45-29-15-14-28-44(45)49(36-19-6-2-7-20-36)42-26-12-10-23-38(42)39-24-11-13-27-43(39)49;1-2-18-33(19-3-1)47(39-25-9-6-21-35(39)36-22-7-10-26-40(36)47)41-27-11-12-28-43(41)48(42-29-14-17-32-16-4-5-20-34(32)42)44-30-15-24-38-37-23-8-13-31-45(37)49-46(38)44/h3-41H,1-2H3;1-33H;1-31H
InChIKeyNQTFGDYAZYSNSW-UHFFFAOYSA-N
MW2177.81 g/mol
LogP44.29
Rot. Bonds17

About N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-7-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N,8-diphenyl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-7-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N,8-diphenyl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 159857807) has the molecular formula C162H109N3OS2 and a molecular weight of 2177.81 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-7-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N,8-diphenyl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-7-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N,8-diphenyl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
PubChem CID159857807
Molecular FormulaC162H109N3OS2
Molecular Weight2177.81 g/mol
Exact Mass2175.80
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-7-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N,8-diphenyl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4sc5cc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)ccc5c4c3)cc21.c1ccc(-c2ccc3oc4c(N(c5ccccc5)c5ccccc5C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc4c3c2)cc1.c1ccc(C2(c3ccccc3N(c3cccc4ccccc34)c3cccc4c3sc3ccccc34)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C66H45NS.C49H33NO.C47H31NS/c1-65(2)59-24-11-8-21-53(59)56-35-31-50(41-62(56)65)67(48-30-34-52-45(38-48)28-27-42-15-6-7-20-51(42)52)49-32-36-63-58(40-49)57-33-29-44(39-64(57)68-63)43-16-14-19-47(37-43)66(46-17-4-3-5-18-46)60-25-12-9-22-54(60)55-23-10-13-26-61(55)66;1-4-17-34(18-5-1)35-31-32-47-41(33-35)40-25-16-30-46(48(40)51-47)50(37-21-8-3-9-22-37)45-29-15-14-28-44(45)49(36-19-6-2-7-20-36)42-26-12-10-23-38(42)39-24-11-13-27-43(39)49;1-2-18-33(19-3-1)47(39-25-9-6-21-35(39)36-22-7-10-26-40(36)47)41-27-11-12-28-43(41)48(42-29-14-17-32-16-4-5-20-34(32)42)44-30-15-24-38-37-23-8-13-31-45(37)49-46(38)44/h3-41H,1-2H3;1-33H;1-31H
InChIKeyNQTFGDYAZYSNSW-UHFFFAOYSA-N
XLogP44.29
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002177.81
LogP ≤ 544.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-7-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N,8-diphenyl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine with MolForge

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Related Compounds

N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-2-amine;N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine;N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-phenyldibenzothiophen-2-amine;N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-4-amine
CID 158349506
N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 163533094
N-dibenzothiophen-2-yl-N-phenanthren-2-yl-8-phenylnaphtho[1,2-b][1]benzofuran-1-amine;N-(9,9-dimethylfluoren-2-yl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine;N-(3,5-diphenylphenyl)-8-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
CID 160712736
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 158532816
2-N-dibenzofuran-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;2-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 159611762
N-dibenzofuran-3-yl-N-naphthalen-1-yl-6-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine;3-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-6-N-phenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-(9,9-dimethylfluoren-2-yl)-3-N,6-N-diphenyl-3-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene-3,6-diamine
CID 157254590
N-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine
CID 158728746
7-N-dibenzofuran-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157280557
N-dibenzofuran-3-yl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-4-amine
CID 159394304
2-N-dibenzofuran-4-yl-7-N-naphthalen-1-yl-2-N-naphthalen-2-yl-7-N-[3-(N-(2,3,4,5,6-pentadeuteriophenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-2-yl-7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-[3-(N-(3-dibenzothiophen-4-ylphenyl)anilino)phenyl]-7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine
CID 157346259
N,N-bis(4-dibenzofuran-4-ylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-8-phenyl-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzothiophen-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-2-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzothiophen-4-amine
CID 158897463
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzothiophen-4-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-2-amine
CID 161200846

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-7-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N,8-diphenyl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-7-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N,8-diphenyl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine (CID 159857807) is N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-7-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N,8-diphenyl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-7-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N,8-diphenyl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-7-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N,8-diphenyl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4sc5cc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)ccc5c4c3)cc21.c1ccc(-c2ccc3oc4c(N(c5ccccc5)c5ccccc5C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc4c3c2)cc1.c1ccc(C2(c3ccccc3N(c3cccc4ccccc34)c3cccc4c3sc3ccccc34)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-7-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N,8-diphenyl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is NQTFGDYAZYSNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45NS.C49H33NO.C47H31NS/c1-65(2)59-24-11-8-21-53(59)56-35-31-50(41-62(56)65)67(48-30-34-52-45(38-48)28-27-42-15-6-7-20-51(42)52)49-32-36-63-58(40-49)57-33-29-44(39-64(57)68-63)43-16-14-19-47(37-43)66(46-17-4-3-5-18-46)60-25-12-9-22-54(60)55-23-10-13-26-61(55)66;1-4-17-34(18-5-1)35-31-32-47-41(33-35)40-25-16-30-46(48(40)51-47)50(37-21-8-3-9-22-37)45-29-15-14-28-44(45)49(36-19-6-2-7-20-36)42-26-12-10-23-38(42)39-24-11-13-27-43(39)49;1-2-18-33(19-3-1)47(39-25-9-6-21-35(39)36-22-7-10-26-40(36)47)41-27-11-12-28-43(41)48(42-29-14-17-32-16-4-5-20-34(32)42)44-30-15-24-38-37-23-8-13-31-45(37)49-46(38)44/h3-41H,1-2H3;1-33H;1-31H.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-7-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N,8-diphenyl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-7-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N,8-diphenyl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 2177.81 g/mol, XLogP of 44.29, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-2-yl-7-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine;N,8-diphenyl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 159857807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).