N-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine

C148H92N4O3S5 — CID 162029641

IUPACN-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine
SMILESc1ccc2c(c1)Sc1cc(Nc3cccc4oc5ccccc5c34)ccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1ccc(Nc3cccc4oc5ccccc5c34)cc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1ccc(Nc3cccc4sc5ccccc5c34)cc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1cccc(Nc3cccc4oc5ccccc5c34)c1C21c2ccccc2-c2ccccc21
InChIInChI=1S/3C37H23NOS.C37H23NS2/c1-4-14-26-23(11-1)24-12-2-5-15-27(24)37(26)28-16-6-8-21-33(28)40-34-22-10-18-30(36(34)37)38-29-17-9-20-32-35(29)25-13-3-7-19-31(25)39-32;1-4-13-27-24(10-1)25-11-2-5-14-28(25)37(27)29-15-6-8-19-34(29)40-35-21-20-23(22-30(35)37)38-31-16-9-18-33-36(31)26-12-3-7-17-32(26)39-33;1-4-13-27-24(10-1)25-11-2-5-14-28(25)37(27)29-15-6-8-19-34(29)40-35-22-23(20-21-30(35)37)38-31-16-9-18-33-36(31)26-12-3-7-17-32(26)39-33;1-4-13-27-24(10-1)25-11-2-5-14-28(25)37(27)29-15-6-8-18-33(29)40-34-21-20-23(22-30(34)37)38-31-16-9-19-35-36(31)26-12-3-7-17-32(26)39-35/h4*1-22,38H
InChIKeyYVVRLDINTQBKGK-UHFFFAOYSA-N
MW2134.72 g/mol
LogP41.10
Rot. Bonds8

About N-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine

N-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine (PubChem CID 162029641) has the molecular formula C148H92N4O3S5 and a molecular weight of 2134.72 g/mol. Its IUPAC name is N-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine
PubChem CID162029641
Molecular FormulaC148H92N4O3S5
Molecular Weight2134.72 g/mol
Exact Mass2132.58
IUPAC NameN-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine
SMILESc1ccc2c(c1)Sc1cc(Nc3cccc4oc5ccccc5c34)ccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1ccc(Nc3cccc4oc5ccccc5c34)cc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1ccc(Nc3cccc4sc5ccccc5c34)cc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1cccc(Nc3cccc4oc5ccccc5c34)c1C21c2ccccc2-c2ccccc21
InChIInChI=1S/3C37H23NOS.C37H23NS2/c1-4-14-26-23(11-1)24-12-2-5-15-27(24)37(26)28-16-6-8-21-33(28)40-34-22-10-18-30(36(34)37)38-29-17-9-20-32-35(29)25-13-3-7-19-31(25)39-32;1-4-13-27-24(10-1)25-11-2-5-14-28(25)37(27)29-15-6-8-19-34(29)40-35-21-20-23(22-30(35)37)38-31-16-9-18-33-36(31)26-12-3-7-17-32(26)39-33;1-4-13-27-24(10-1)25-11-2-5-14-28(25)37(27)29-15-6-8-19-34(29)40-35-22-23(20-21-30(35)37)38-31-16-9-18-33-36(31)26-12-3-7-17-32(26)39-33;1-4-13-27-24(10-1)25-11-2-5-14-28(25)37(27)29-15-6-8-18-33(29)40-34-21-20-23(22-30(34)37)38-31-16-9-19-35-36(31)26-12-3-7-17-32(26)39-35/h4*1-22,38H
InChIKeyYVVRLDINTQBKGK-UHFFFAOYSA-N
XLogP41.10
TPSA87.54 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002134.72
LogP ≤ 541.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine with MolForge

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Related Compounds

N-(7'-phenylspiro[fluorene-9,9'-thioxanthene]-3'-yl)dibenzofuran-1-amine
CID 169305108
N-(6,7,8,9-tetradeuteriodibenzothiophen-1-yl)spiro[fluorene-9,9'-thioxanthene]-2'-amine
CID 156683727
N-[6-(4-fluorophenyl)dibenzothiophen-1-yl]spiro[fluorene-9,9'-thioxanthene]-3'-amine
CID 164707097
N-spiro[fluorene-9,9'-thioxanthene]-2-yldibenzofuran-3-amine
CID 169305210
N-spiro[fluorene-9,9'-thioxanthene]-3'-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 166959966
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]dibenzothiophen-1-amine
CID 177114042
N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine
CID 165071492
N-(4-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 146333073
6-(2,3,4,5,6-pentadeuteriophenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-2-amine;1-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-3-amine;8-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-4-amine
CID 167658609
N-phenyldibenzothiophen-1-amine
CID 126538366
N-[2-[3-(3-dibenzothiophen-1-yl-2-methylphenyl)-4-phenylphenyl]phenyl]dibenzofuran-1-amine
CID 163843574
N-triphenylen-2-yldibenzofuran-1-amine
CID 162427617

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine?
The IUPAC name of N-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine (CID 162029641) is N-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine.
What is the SMILES notation for N-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine?
The canonical SMILES for N-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine is c1ccc2c(c1)Sc1cc(Nc3cccc4oc5ccccc5c34)ccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1ccc(Nc3cccc4oc5ccccc5c34)cc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1ccc(Nc3cccc4sc5ccccc5c34)cc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)Sc1cccc(Nc3cccc4oc5ccccc5c34)c1C21c2ccccc2-c2ccccc21.
What is the InChIKey of N-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine?
The InChIKey is YVVRLDINTQBKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C37H23NOS.C37H23NS2/c1-4-14-26-23(11-1)24-12-2-5-15-27(24)37(26)28-16-6-8-21-33(28)40-34-22-10-18-30(36(34)37)38-29-17-9-20-32-35(29)25-13-3-7-19-31(25)39-32;1-4-13-27-24(10-1)25-11-2-5-14-28(25)37(27)29-15-6-8-19-34(29)40-35-21-20-23(22-30(35)37)38-31-16-9-18-33-36(31)26-12-3-7-17-32(26)39-33;1-4-13-27-24(10-1)25-11-2-5-14-28(25)37(27)29-15-6-8-19-34(29)40-35-22-23(20-21-30(35)37)38-31-16-9-18-33-36(31)26-12-3-7-17-32(26)39-33;1-4-13-27-24(10-1)25-11-2-5-14-28(25)37(27)29-15-6-8-18-33(29)40-34-21-20-23(22-30(34)37)38-31-16-9-19-35-36(31)26-12-3-7-17-32(26)39-35/h4*1-22,38H.
What are the key properties of N-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine?
N-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine has a molecular weight of 2134.72 g/mol, XLogP of 41.10, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine;N-spiro[fluorene-9,9'-thioxanthene]-1'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzofuran-1-amine;N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1-amine is sourced from PubChem (CID 162029641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).