N,4-diphenyl-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-2-amine;N-phenyl-N-(3-pyridin-2-yldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-1'-amine

C97H61N3O2S2 — CID 167665378

IUPACN,4-diphenyl-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-2-amine;N-phenyl-N-(3-pyridin-2-yldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-1'-amine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4ccccc43)cc3c2oc2ccccc23)cc1.c1ccc(N(c2cc3c(cc2-c2ccccn2)sc2ccccc23)c2cccc3c2C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C49H31NOS.C48H30N2OS/c1-3-15-32(16-4-1)39-29-35(30-40-38-21-9-13-25-45(38)51-48(39)40)50(33-17-5-2-6-18-33)34-27-28-44-47(31-34)52-46-26-14-12-24-43(46)49(44)41-22-10-7-19-36(41)37-20-8-11-23-42(37)49;1-2-15-31(16-3-1)50(42-29-35-34-19-6-11-27-45(34)52-46(35)30-36(42)40-23-12-13-28-49-40)41-24-14-26-44-47(41)48(39-22-9-10-25-43(39)51-44)37-20-7-4-17-32(37)33-18-5-8-21-38(33)48/h1-31H;1-30H
InChIKeySOEZGWHGTVJGKW-UHFFFAOYSA-N
MW1364.71 g/mol
LogP26.61
Rot. Bonds8

About N,4-diphenyl-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-2-amine;N-phenyl-N-(3-pyridin-2-yldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-1'-amine

N,4-diphenyl-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-2-amine;N-phenyl-N-(3-pyridin-2-yldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-1'-amine (PubChem CID 167665378) has the molecular formula C97H61N3O2S2 and a molecular weight of 1364.71 g/mol. Its IUPAC name is N,4-diphenyl-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-2-amine;N-phenyl-N-(3-pyridin-2-yldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-1'-amine.

Molecular Properties

Compound NameN,4-diphenyl-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-2-amine;N-phenyl-N-(3-pyridin-2-yldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-1'-amine
PubChem CID167665378
Molecular FormulaC97H61N3O2S2
Molecular Weight1364.71 g/mol
Exact Mass1363.42
IUPAC NameN,4-diphenyl-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-2-amine;N-phenyl-N-(3-pyridin-2-yldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-1'-amine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4ccccc43)cc3c2oc2ccccc23)cc1.c1ccc(N(c2cc3c(cc2-c2ccccn2)sc2ccccc23)c2cccc3c2C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C49H31NOS.C48H30N2OS/c1-3-15-32(16-4-1)39-29-35(30-40-38-21-9-13-25-45(38)51-48(39)40)50(33-17-5-2-6-18-33)34-27-28-44-47(31-34)52-46-26-14-12-24-43(46)49(44)41-22-10-7-19-36(41)37-20-8-11-23-42(37)49;1-2-15-31(16-3-1)50(42-29-35-34-19-6-11-27-45(34)52-46(35)30-36(42)40-23-12-13-28-49-40)41-24-14-26-44-47(41)48(39-22-9-10-25-43(39)51-44)37-20-7-4-17-32(37)33-18-5-8-21-38(33)48/h1-31H;1-30H
InChIKeySOEZGWHGTVJGKW-UHFFFAOYSA-N
XLogP26.61
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001364.71
LogP ≤ 526.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,4-diphenyl-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-2-amine;N-phenyl-N-(3-pyridin-2-yldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-1'-amine with MolForge

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Related Compounds

4-N-dibenzothiophen-4-yl-2-N,2-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-2,4-diamine
CID 169305132
N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[21-oxa-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[21-oxa-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[21-oxa-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine
CID 159568728
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463415
N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine
CID 158391845
N-(4-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 161249951
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476743
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-dibenzofuran-4-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 158083207
3'-chloro-6-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-6-N-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-3,6-diamine
CID 162163748
N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138477237
3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,3-diamine
CID 169305086
N,10-diphenyl-N-[3-[6-(N-phenylanilino)dibenzofuran-2-yl]phenyl]spiro[acridine-9,9'-fluorene]-3'-amine;N-phenyl-N-[4-[8-(N-phenylanilino)dibenzothiophen-3-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine;N-phenyl-N-[8-[4-(N-phenylanilino)naphthalen-1-yl]dibenzothiophen-2-yl]spiro[fluorene-9,9'-thioxanthene]-4-amine
CID 158704633
N-dibenzothiophen-3-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-3-amine
CID 160729748

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-2-amine;N-phenyl-N-(3-pyridin-2-yldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-1'-amine?
The IUPAC name of N,4-diphenyl-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-2-amine;N-phenyl-N-(3-pyridin-2-yldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-1'-amine (CID 167665378) is N,4-diphenyl-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-2-amine;N-phenyl-N-(3-pyridin-2-yldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-1'-amine.
What is the SMILES notation for N,4-diphenyl-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-2-amine;N-phenyl-N-(3-pyridin-2-yldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-1'-amine?
The canonical SMILES for N,4-diphenyl-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-2-amine;N-phenyl-N-(3-pyridin-2-yldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-1'-amine is c1ccc(-c2cc(N(c3ccccc3)c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4ccccc43)cc3c2oc2ccccc23)cc1.c1ccc(N(c2cc3c(cc2-c2ccccn2)sc2ccccc23)c2cccc3c2C2(c4ccccc4O3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N,4-diphenyl-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-2-amine;N-phenyl-N-(3-pyridin-2-yldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-1'-amine?
The InChIKey is SOEZGWHGTVJGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NOS.C48H30N2OS/c1-3-15-32(16-4-1)39-29-35(30-40-38-21-9-13-25-45(38)51-48(39)40)50(33-17-5-2-6-18-33)34-27-28-44-47(31-34)52-46-26-14-12-24-43(46)49(44)41-22-10-7-19-36(41)37-20-8-11-23-42(37)49;1-2-15-31(16-3-1)50(42-29-35-34-19-6-11-27-45(34)52-46(35)30-36(42)40-23-12-13-28-49-40)41-24-14-26-44-47(41)48(39-22-9-10-25-43(39)51-44)37-20-7-4-17-32(37)33-18-5-8-21-38(33)48/h1-31H;1-30H.
What are the key properties of N,4-diphenyl-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-2-amine;N-phenyl-N-(3-pyridin-2-yldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-1'-amine?
N,4-diphenyl-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-2-amine;N-phenyl-N-(3-pyridin-2-yldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-1'-amine has a molecular weight of 1364.71 g/mol, XLogP of 26.61, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-2-amine;N-phenyl-N-(3-pyridin-2-yldibenzothiophen-2-yl)spiro[fluorene-9,9'-xanthene]-1'-amine is sourced from PubChem (CID 167665378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).