3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

C219H147N3S3 — CID 158539466

About 3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 158539466) has the molecular formula C219H147N3S3 and a molecular weight of 2916.81 g/mol. Its IUPAC name is 3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: 3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 158539466
• Molecular Formula: C219H147N3S3
• Molecular Weight: 2916.81 g/mol
• Exact Mass: 2914.08
• IUPAC Name: 3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• SMILES: c1ccc2c(c1)-c1c(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cccc1C21CCCCC1.c1ccc2c(c1)-c1cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)ccc1C21CCCCC1.c1ccc2c(c1)-c1cccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)c1C21CCCCC1
• InChI: InChI=1S/3C73H49NS/c1-16-40-72(41-17-1)61-31-11-9-28-57(61)70-65(72)35-19-36-67(70)74(45-38-39-50-48-22-3-2-20-46(48)47-21-4-5-23-49(47)58(50)42-45)68-44-66-59(43-60(68)56-30-18-29-55-54-27-10-15-37-69(54)75-71(55)56)53-26-8-14-34-64(53)73(66)62-32-12-6-24-51(62)52-25-7-13-33-63(52)73;1-16-40-72(41-17-1)62-32-11-6-26-53(62)56-29-19-36-67(70(56)72)74(45-38-39-50-48-22-3-2-20-46(48)47-21-4-5-23-49(47)59(50)42-45)68-44-66-60(43-61(68)58-31-18-30-57-55-28-10-15-37-69(55)75-71(57)58)54-27-9-14-35-65(54)73(66)63-33-12-7-24-51(63)52-25-8-13-34-64(52)73;1-16-39-72(40-17-1)63-30-11-6-25-54(63)60-42-46(36-38-64(60)72)74(45-35-37-51-49-21-3-2-19-47(49)48-20-4-5-22-50(48)59(51)41-45)69-44-68-61(43-62(69)58-29-18-28-57-56-27-10-15-34-70(56)75-71(57)58)55-26-9-14-33-67(55)73(68)65-31-12-7-23-52(65)53-24-8-13-32-66(53)73/h2*2-15,18-39,42-44H,1,16-17,40-41H2;2-15,18-38,41-44H,1,16-17,39-40H2
• InChIKey: HOIMUYZARGPCQK-UHFFFAOYSA-N
• XLogP: 60.67
• TPSA: 9.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2916.81
LogP ≤ 5	60.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of 3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 158539466) is 3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

What is the SMILES notation for 3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The canonical SMILES for 3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is c1ccc2c(c1)-c1c(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cccc1C21CCCCC1.c1ccc2c(c1)-c1cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)ccc1C21CCCCC1.c1ccc2c(c1)-c1cccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)c1C21CCCCC1.

What is the InChIKey of 3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

The InChIKey is HOIMUYZARGPCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C73H49NS/c1-16-40-72(41-17-1)61-31-11-9-28-57(61)70-65(72)35-19-36-67(70)74(45-38-39-50-48-22-3-2-20-46(48)47-21-4-5-23-49(47)58(50)42-45)68-44-66-59(43-60(68)56-30-18-29-55-54-27-10-15-37-69(54)75-71(55)56)53-26-8-14-34-64(53)73(66)62-32-12-6-24-51(62)52-25-7-13-33-63(52)73;1-16-40-72(41-17-1)62-32-11-6-26-53(62)56-29-19-36-67(70(56)72)74(45-38-39-50-48-22-3-2-20-46(48)47-21-4-5-23-49(47)59(50)42-45)68-44-66-60(43-61(68)58-31-18-30-57-55-28-10-15-37-69(55)75-71(57)58)54-27-9-14-35-65(54)73(66)63-33-12-7-24-51(63)52-25-8-13-34-64(52)73;1-16-39-72(40-17-1)63-30-11-6-25-54(63)60-42-46(36-38-64(60)72)74(45-35-37-51-49-21-3-2-19-47(49)48-20-4-5-22-50(48)59(51)41-45)69-44-68-61(43-62(69)58-29-18-28-57-56-27-10-15-34-70(56)75-71(57)58)55-26-9-14-33-67(55)73(68)65-31-12-7-23-52(65)53-24-8-13-32-66(53)73/h2*2-15,18-39,42-44H,1,16-17,40-41H2;2-15,18-38,41-44H,1,16-17,39-40H2.

What are the key properties of 3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?

3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 2916.81 g/mol, XLogP of 60.67, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 158539466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).