N-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine

C147H87N3O3S6 — CID 163884895

IUPACN-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cccc3sc4cc5c(cc4c23)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cccc3sc4cc5c(cc4c23)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1.c1ccc(N(c2cccc3sc4ccccc4c23)c2cccc3sc4cc5c(cc4c23)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/3C49H29NOS2/c1-2-14-30(15-3-1)50(39-21-12-26-44-47(39)32-17-5-11-25-43(32)52-44)40-22-13-27-45-48(40)34-28-33-31-16-4-6-18-35(31)49(38(33)29-46(34)53-45)36-19-7-9-23-41(36)51-42-24-10-8-20-37(42)49;1-2-13-30(14-3-1)50(31-25-26-45-35(27-31)33-16-5-11-23-44(33)52-45)41-20-12-24-46-48(41)36-28-34-32-15-4-6-17-37(32)49(40(34)29-47(36)53-46)38-18-7-9-21-42(38)51-43-22-10-8-19-39(43)49;1-2-13-30(14-3-1)50(31-25-26-34-33-16-5-11-23-44(33)52-46(34)27-31)41-20-12-24-45-48(41)36-28-35-32-15-4-6-17-37(32)49(40(35)29-47(36)53-45)38-18-7-9-21-42(38)51-43-22-10-8-19-39(43)49/h3*1-29H
InChIKeyPWMOAGBLVBSWOW-UHFFFAOYSA-N
MW2135.73 g/mol
LogP43.08
Rot. Bonds9

About N-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine

N-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine (PubChem CID 163884895) has the molecular formula C147H87N3O3S6 and a molecular weight of 2135.73 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
PubChem CID163884895
Molecular FormulaC147H87N3O3S6
Molecular Weight2135.73 g/mol
Exact Mass2133.51
IUPAC NameN-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cccc3sc4cc5c(cc4c23)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cccc3sc4cc5c(cc4c23)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1.c1ccc(N(c2cccc3sc4ccccc4c23)c2cccc3sc4cc5c(cc4c23)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/3C49H29NOS2/c1-2-14-30(15-3-1)50(39-21-12-26-44-47(39)32-17-5-11-25-43(32)52-44)40-22-13-27-45-48(40)34-28-33-31-16-4-6-18-35(31)49(38(33)29-46(34)53-45)36-19-7-9-23-41(36)51-42-24-10-8-20-37(42)49;1-2-13-30(14-3-1)50(31-25-26-45-35(27-31)33-16-5-11-23-44(33)52-45)41-20-12-24-46-48(41)36-28-34-32-15-4-6-17-37(32)49(40(34)29-47(36)53-46)38-18-7-9-21-42(38)51-43-22-10-8-19-39(43)49;1-2-13-30(14-3-1)50(31-25-26-34-33-16-5-11-23-44(33)52-46(34)27-31)41-20-12-24-45-48(41)36-28-35-32-15-4-6-17-37(32)49(40(35)29-47(36)53-45)38-18-7-9-21-42(38)51-43-22-10-8-19-39(43)49/h3*1-29H
InChIKeyPWMOAGBLVBSWOW-UHFFFAOYSA-N
XLogP43.08
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002135.73
LogP ≤ 543.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze N-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine with MolForge

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Related Compounds

N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 162771338
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 162771384
N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine
CID 162771361
9,9-dimethyl-N-phenyl-N-(2-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-ylphenyl)fluoren-2-amine
CID 162771521
N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)dibenzothiophen-1-amine
CID 167177336
N-phenyl-N-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'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 130463442
N-phenyl-N-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]-11'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 130463393
2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine
CID 166960048
N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-1'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-3'-amine
CID 158190990
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-1-amine
CID 156664835
N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine
CID 162771327
2-N'-dibenzothiophen-2-yl-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915452

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine (CID 163884895) is N-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine is c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2cccc3sc4cc5c(cc4c23)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1.c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cccc3sc4cc5c(cc4c23)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1.c1ccc(N(c2cccc3sc4ccccc4c23)c2cccc3sc4cc5c(cc4c23)-c2ccccc2C52c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine?
The InChIKey is PWMOAGBLVBSWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C49H29NOS2/c1-2-14-30(15-3-1)50(39-21-12-26-44-47(39)32-17-5-11-25-43(32)52-44)40-22-13-27-45-48(40)34-28-33-31-16-4-6-18-35(31)49(38(33)29-46(34)53-45)36-19-7-9-23-41(36)51-42-24-10-8-20-37(42)49;1-2-13-30(14-3-1)50(31-25-26-45-35(27-31)33-16-5-11-23-44(33)52-45)41-20-12-24-46-48(41)36-28-34-32-15-4-6-17-37(32)49(40(34)29-47(36)53-46)38-18-7-9-21-42(38)51-43-22-10-8-19-39(43)49;1-2-13-30(14-3-1)50(31-25-26-34-33-16-5-11-23-44(33)52-46(34)27-31)41-20-12-24-45-48(41)36-28-35-32-15-4-6-17-37(32)49(40(35)29-47(36)53-45)38-18-7-9-21-42(38)51-43-22-10-8-19-39(43)49/h3*1-29H.
What are the key properties of N-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine?
N-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine has a molecular weight of 2135.73 g/mol, XLogP of 43.08, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine;N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine is sourced from PubChem (CID 163884895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).