3-chloro-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine;5'-chloro-3-N,3-N'-diphenyl-3-N'-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,3'-diamine;6'-chloro-3-N,4-N'-diphenyl-4-N'-(3-phenyldibenzofuran-1-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,4'-diamine

C219H135Cl3N6O4S5 — CID 159127747

About 3-chloro-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine;5'-chloro-3-N,3-N'-diphenyl-3-N'-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,3'-diamine;6'-chloro-3-N,4-N'-diphenyl-4-N'-(3-phenyldibenzofuran-1-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,4'-diamine

3-chloro-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine;5'-chloro-3-N,3-N'-diphenyl-3-N'-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,3'-diamine;6'-chloro-3-N,4-N'-diphenyl-4-N'-(3-phenyldibenzofuran-1-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,4'-diamine (PubChem CID 159127747) has the molecular formula C219H135Cl3N6O4S5 and a molecular weight of 3181.22 g/mol. Its IUPAC name is 3-chloro-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine;5'-chloro-3-N,3-N'-diphenyl-3-N'-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,3'-diamine;6'-chloro-3-N,4-N'-diphenyl-4-N'-(3-phenyldibenzofuran-1-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,4'-diamine.

Molecular Properties

• Compound Name: 3-chloro-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine;5'-chloro-3-N,3-N'-diphenyl-3-N'-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,3'-diamine;6'-chloro-3-N,4-N'-diphenyl-4-N'-(3-phenyldibenzofuran-1-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,4'-diamine
• PubChem CID: 159127747
• Molecular Formula: C219H135Cl3N6O4S5
• Molecular Weight: 3181.22 g/mol
• Exact Mass: 3176.82
• IUPAC Name: 3-chloro-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine;5'-chloro-3-N,3-N'-diphenyl-3-N'-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,3'-diamine;6'-chloro-3-N,4-N'-diphenyl-4-N'-(3-phenyldibenzofuran-1-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,4'-diamine
• SMILES: Clc1ccc2c(c1)-c1ccccc1C21c2ccc(N(c3ccccc3)c3cc(-c4ccccc4)c4oc5ccccc5c4c3)cc2Sc2c(N(c3ccccc3)c3cc(-c4ccccc4)cc4oc5ccccc5c34)cccc21.Clc1ccc2c(c1)Sc1c(N(c3ccccc3)c3cc(-c4ccccc4)cc4oc5ccccc5c34)cccc1C21c2ccccc2-c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3-c3ccccc3)ccc21.Clc1cccc2c1Sc1cc(N(c3ccccc3)c3cc(-c4ccccc4)c4oc5ccccc5c4c3)ccc1C21c2ccccc2-c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3-c3ccccc3)ccc21
• InChI: InChI=1S/C73H45ClN2O2S.2C73H45ClN2OS2/c74-49-36-38-61-58(42-49)54-28-13-16-31-60(54)73(61)62-39-37-52(75(50-24-9-3-10-25-50)53-43-57(47-22-7-2-8-23-47)71-59(44-53)55-29-14-17-34-66(55)78-71)45-69(62)79-72-63(73)32-19-33-64(72)76(51-26-11-4-12-27-51)65-40-48(46-20-5-1-6-21-46)41-68-70(65)56-30-15-18-35-67(56)77-68;74-49-36-38-59-68(44-49)79-72-60(32-19-33-62(72)76(51-26-11-4-12-27-51)63-42-48(46-20-5-1-6-21-46)43-65-70(63)54-29-14-17-34-64(54)77-65)73(59)57-31-16-13-28-53(57)56-45-52(37-39-58(56)73)75(50-24-9-3-10-25-50)61-40-41-67-71(55-30-15-18-35-66(55)78-67)69(61)47-22-7-2-8-23-47;74-63-33-19-32-62-72(63)79-68-45-51(75(48-24-9-3-10-25-48)52-43-56(46-20-5-1-6-21-46)71-58(44-52)54-29-14-17-34-65(54)77-71)37-39-61(68)73(62)59-31-16-13-28-53(59)57-42-50(36-38-60(57)73)76(49-26-11-4-12-27-49)64-40-41-67-70(55-30-15-18-35-66(55)78-67)69(64)47-22-7-2-8-23-47/h3*1-45H
• InChIKey: KGMODNXUXNGTPA-UHFFFAOYSA-N
• XLogP: 64.66
• TPSA: 72.00 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3181.22
LogP ≤ 5	64.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine;5'-chloro-3-N,3-N'-diphenyl-3-N'-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,3'-diamine;6'-chloro-3-N,4-N'-diphenyl-4-N'-(3-phenyldibenzofuran-1-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,4'-diamine?

The IUPAC name of 3-chloro-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine;5'-chloro-3-N,3-N'-diphenyl-3-N'-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,3'-diamine;6'-chloro-3-N,4-N'-diphenyl-4-N'-(3-phenyldibenzofuran-1-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,4'-diamine (CID 159127747) is 3-chloro-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine;5'-chloro-3-N,3-N'-diphenyl-3-N'-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,3'-diamine;6'-chloro-3-N,4-N'-diphenyl-4-N'-(3-phenyldibenzofuran-1-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,4'-diamine.

What is the SMILES notation for 3-chloro-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine;5'-chloro-3-N,3-N'-diphenyl-3-N'-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,3'-diamine;6'-chloro-3-N,4-N'-diphenyl-4-N'-(3-phenyldibenzofuran-1-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,4'-diamine?

The canonical SMILES for 3-chloro-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine;5'-chloro-3-N,3-N'-diphenyl-3-N'-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,3'-diamine;6'-chloro-3-N,4-N'-diphenyl-4-N'-(3-phenyldibenzofuran-1-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,4'-diamine is Clc1ccc2c(c1)-c1ccccc1C21c2ccc(N(c3ccccc3)c3cc(-c4ccccc4)c4oc5ccccc5c4c3)cc2Sc2c(N(c3ccccc3)c3cc(-c4ccccc4)cc4oc5ccccc5c34)cccc21.Clc1ccc2c(c1)Sc1c(N(c3ccccc3)c3cc(-c4ccccc4)cc4oc5ccccc5c34)cccc1C21c2ccccc2-c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3-c3ccccc3)ccc21.Clc1cccc2c1Sc1cc(N(c3ccccc3)c3cc(-c4ccccc4)c4oc5ccccc5c4c3)ccc1C21c2ccccc2-c2cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3-c3ccccc3)ccc21.

What is the InChIKey of 3-chloro-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine;5'-chloro-3-N,3-N'-diphenyl-3-N'-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,3'-diamine;6'-chloro-3-N,4-N'-diphenyl-4-N'-(3-phenyldibenzofuran-1-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,4'-diamine?

The InChIKey is KGMODNXUXNGTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H45ClN2O2S.2C73H45ClN2OS2/c74-49-36-38-61-58(42-49)54-28-13-16-31-60(54)73(61)62-39-37-52(75(50-24-9-3-10-25-50)53-43-57(47-22-7-2-8-23-47)71-59(44-53)55-29-14-17-34-66(55)78-71)45-69(62)79-72-63(73)32-19-33-64(72)76(51-26-11-4-12-27-51)65-40-48(46-20-5-1-6-21-46)41-68-70(65)56-30-15-18-35-67(56)77-68;74-49-36-38-59-68(44-49)79-72-60(32-19-33-62(72)76(51-26-11-4-12-27-51)63-42-48(46-20-5-1-6-21-46)43-65-70(63)54-29-14-17-34-64(54)77-65)73(59)57-31-16-13-28-53(57)56-45-52(37-39-58(56)73)75(50-24-9-3-10-25-50)61-40-41-67-71(55-30-15-18-35-66(55)78-67)69(61)47-22-7-2-8-23-47;74-63-33-19-32-62-72(63)79-68-45-51(75(48-24-9-3-10-25-48)52-43-56(46-20-5-1-6-21-46)71-58(44-52)54-29-14-17-34-65(54)77-71)37-39-61(68)73(62)59-31-16-13-28-53(59)57-42-50(36-38-60(57)73)76(49-26-11-4-12-27-49)64-40-41-67-70(55-30-15-18-35-66(55)78-67)69(64)47-22-7-2-8-23-47/h3*1-45H.

What are the key properties of 3-chloro-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine;5'-chloro-3-N,3-N'-diphenyl-3-N'-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,3'-diamine;6'-chloro-3-N,4-N'-diphenyl-4-N'-(3-phenyldibenzofuran-1-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,4'-diamine?

3-chloro-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine;5'-chloro-3-N,3-N'-diphenyl-3-N'-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,3'-diamine;6'-chloro-3-N,4-N'-diphenyl-4-N'-(3-phenyldibenzofuran-1-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,4'-diamine has a molecular weight of 3181.22 g/mol, XLogP of 64.66, 24 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-3-N',5-N'-diphenyl-5-N'-(3-phenyldibenzofuran-1-yl)-3-N'-(4-phenyldibenzofuran-2-yl)spiro[fluorene-9,9'-thioxanthene]-3',5'-diamine;5'-chloro-3-N,3-N'-diphenyl-3-N'-(4-phenyldibenzofuran-2-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,3'-diamine;6'-chloro-3-N,4-N'-diphenyl-4-N'-(3-phenyldibenzofuran-1-yl)-3-N-(1-phenyldibenzothiophen-2-yl)spiro[fluorene-9,9'-thioxanthene]-3,4'-diamine is sourced from PubChem (CID 159127747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).