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

C217H143N3S3 — CID 160930967

About 3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-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]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 160930967) has the molecular formula C217H143N3S3 and a molecular weight of 2888.75 g/mol. Its IUPAC name is 3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-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]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 160930967
• Molecular Formula: C217H143N3S3
• Molecular Weight: 2888.75 g/mol
• Exact Mass: 2886.04
• IUPAC Name: 3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-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)cccc1C21CCCC1.c1ccc2c(c1)-c1cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)ccc1C21CCCC1.c1ccc2c(c1)-c1ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cc1C21CCCCC1
• InChI: InChI=1S/C73H49NS.2C72H47NS/c1-16-39-72(40-17-1)63-30-11-6-23-52(63)56-38-36-46(42-67(56)72)74(45-35-37-51-49-21-3-2-19-47(49)48-20-4-5-22-50(48)60(51)41-45)69-44-68-61(43-62(69)59-29-18-28-58-57-27-10-15-34-70(57)75-71(58)59)55-26-9-14-33-66(55)73(68)64-31-12-7-24-53(64)54-25-8-13-32-65(54)73;1-2-21-47-45(19-1)46-20-3-4-22-48(46)57-41-44(37-38-49(47)57)73(66-35-18-34-64-69(66)56-27-8-10-30-60(56)71(64)39-15-16-40-71)67-43-65-58(42-59(67)55-29-17-28-54-53-26-9-14-36-68(53)74-70(54)55)52-25-7-13-33-63(52)72(65)61-31-11-5-23-50(61)51-24-6-12-32-62(51)72;1-2-20-48-46(18-1)47-19-3-4-21-49(47)58-40-44(34-36-50(48)58)73(45-35-37-63-59(41-45)53-24-5-10-29-62(53)71(63)38-15-16-39-71)68-43-67-60(42-61(68)57-28-17-27-56-55-26-9-14-33-69(55)74-70(56)57)54-25-8-13-32-66(54)72(67)64-30-11-6-22-51(64)52-23-7-12-31-65(52)72/h2-15,18-38,41-44H,1,16-17,39-40H2;1-14,17-38,41-43H,15-16,39-40H2;1-14,17-37,40-43H,15-16,38-39H2
• InChIKey: STGLKCZMGBGCSW-UHFFFAOYSA-N
• XLogP: 59.89
• TPSA: 9.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2888.75
LogP ≤ 5	59.89
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]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-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]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 160930967) is 3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-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]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-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]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-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)cccc1C21CCCC1.c1ccc2c(c1)-c1cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)ccc1C21CCCC1.c1ccc2c(c1)-c1ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cc1C21CCCCC1.

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

The InChIKey is STGLKCZMGBGCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49NS.2C72H47NS/c1-16-39-72(40-17-1)63-30-11-6-23-52(63)56-38-36-46(42-67(56)72)74(45-35-37-51-49-21-3-2-19-47(49)48-20-4-5-22-50(48)60(51)41-45)69-44-68-61(43-62(69)59-29-18-28-58-57-27-10-15-34-70(57)75-71(58)59)55-26-9-14-33-66(55)73(68)64-31-12-7-24-53(64)54-25-8-13-32-65(54)73;1-2-21-47-45(19-1)46-20-3-4-22-48(46)57-41-44(37-38-49(47)57)73(66-35-18-34-64-69(66)56-27-8-10-30-60(56)71(64)39-15-16-40-71)67-43-65-58(42-59(67)55-29-17-28-54-53-26-9-14-36-68(53)74-70(54)55)52-25-7-13-33-63(52)72(65)61-31-11-5-23-50(61)51-24-6-12-32-62(51)72;1-2-20-48-46(18-1)47-19-3-4-21-49(47)58-40-44(34-36-50(48)58)73(45-35-37-63-59(41-45)53-24-5-10-29-62(53)71(63)38-15-16-39-71)68-43-67-60(42-61(68)57-28-17-27-56-55-26-9-14-33-69(55)74-70(56)57)54-25-8-13-32-66(54)72(67)64-30-11-6-22-51(64)52-23-7-12-31-65(52)72/h2-15,18-38,41-44H,1,16-17,39-40H2;1-14,17-38,41-43H,15-16,39-40H2;1-14,17-37,40-43H,15-16,38-39H2.

What are the key properties of 3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-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]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 2888.75 g/mol, XLogP of 59.89, 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]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 160930967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).