N-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine

C219H133N3S6 — CID 158578435

IUPACN-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C75H45NS2.C74H45NS2.C70H43NS2/c1-6-25-55-48(20-1)49-21-2-7-26-56(49)73(55)59-29-10-5-24-52(59)72-66(73)34-19-35-67(72)76(46-40-42-60-53(44-46)50-22-3-8-27-57(50)74(60)62-30-11-15-36-68(62)77-69-37-16-12-31-63(69)74)47-41-43-61-54(45-47)51-23-4-9-28-58(51)75(61)64-32-13-17-38-70(64)78-71-39-18-14-33-65(71)75;1-2-19-53-51(17-1)52-18-3-4-20-54(52)58-43-47(35-40-55(53)58)46-33-36-48(37-34-46)75(49-38-41-63-59(44-49)56-21-5-7-23-61(56)73(63)65-25-9-13-29-69(65)76-70-30-14-10-26-66(70)73)50-39-42-64-60(45-50)57-22-6-8-24-62(57)74(64)67-27-11-15-31-71(67)77-72-32-16-12-28-68(72)74;1-2-16-51-45(15-1)29-30-47-41-46(33-38-52(47)51)44-31-34-48(35-32-44)71(49-36-39-59-55(42-49)53-17-3-5-19-57(53)69(59)61-21-7-11-25-65(61)72-66-26-12-8-22-62(66)69)50-37-40-60-56(43-50)54-18-4-6-20-58(54)70(60)63-23-9-13-27-67(63)73-68-28-14-10-24-64(68)70/h1-45H;1-45H;1-43H
InChIKeyHSYJRNXGSKOYIN-UHFFFAOYSA-N
MW2998.90 g/mol
LogP57.88
Rot. Bonds11

About N-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine

N-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine (PubChem CID 158578435) has the molecular formula C219H133N3S6 and a molecular weight of 2998.90 g/mol. Its IUPAC name is N-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine.

Molecular Properties

Compound NameN-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine
PubChem CID158578435
Molecular FormulaC219H133N3S6
Molecular Weight2998.90 g/mol
Exact Mass2995.88
IUPAC NameN-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)ccc21
InChIInChI=1S/C75H45NS2.C74H45NS2.C70H43NS2/c1-6-25-55-48(20-1)49-21-2-7-26-56(49)73(55)59-29-10-5-24-52(59)72-66(73)34-19-35-67(72)76(46-40-42-60-53(44-46)50-22-3-8-27-57(50)74(60)62-30-11-15-36-68(62)77-69-37-16-12-31-63(69)74)47-41-43-61-54(45-47)51-23-4-9-28-58(51)75(61)64-32-13-17-38-70(64)78-71-39-18-14-33-65(71)75;1-2-19-53-51(17-1)52-18-3-4-20-54(52)58-43-47(35-40-55(53)58)46-33-36-48(37-34-46)75(49-38-41-63-59(44-49)56-21-5-7-23-61(56)73(63)65-25-9-13-29-69(65)76-70-30-14-10-26-66(70)73)50-39-42-64-60(45-50)57-22-6-8-24-62(57)74(64)67-27-11-15-31-71(67)77-72-32-16-12-28-68(72)74;1-2-16-51-45(15-1)29-30-47-41-46(33-38-52(47)51)44-31-34-48(35-32-44)71(49-36-39-59-55(42-49)53-17-3-5-19-57(53)69(59)61-21-7-11-25-65(61)72-66-26-12-8-22-62(66)69)50-37-40-60-56(43-50)54-18-4-6-20-58(54)70(60)63-23-9-13-27-67(63)73-68-28-14-10-24-64(68)70/h1-45H;1-45H;1-43H
InChIKeyHSYJRNXGSKOYIN-UHFFFAOYSA-N
XLogP57.88
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms228
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002998.90
LogP ≤ 557.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-3-yl)-N-(4-phenanthren-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121423713
N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 159769520
N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476072
N-spiro[fluorene-9,9'-thioxanthene]-4-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138477586
N-(4-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 159418135
N-phenyl-N-(4-triphenylen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 161427467
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476201
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476202
N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138477237
N-(4-dibenzofuran-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476806
N-(3,5-dinaphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308534
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160671954

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine?
The IUPAC name of N-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine (CID 158578435) is N-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine.
What is the SMILES notation for N-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine?
The canonical SMILES for N-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine is c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc5c(ccc6ccccc65)c4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)ccc21.
What is the InChIKey of N-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine?
The InChIKey is HSYJRNXGSKOYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H45NS2.C74H45NS2.C70H43NS2/c1-6-25-55-48(20-1)49-21-2-7-26-56(49)73(55)59-29-10-5-24-52(59)72-66(73)34-19-35-67(72)76(46-40-42-60-53(44-46)50-22-3-8-27-57(50)74(60)62-30-11-15-36-68(62)77-69-37-16-12-31-63(69)74)47-41-43-61-54(45-47)51-23-4-9-28-58(51)75(61)64-32-13-17-38-70(64)78-71-39-18-14-33-65(71)75;1-2-19-53-51(17-1)52-18-3-4-20-54(52)58-43-47(35-40-55(53)58)46-33-36-48(37-34-46)75(49-38-41-63-59(44-49)56-21-5-7-23-61(56)73(63)65-25-9-13-29-69(65)76-70-30-14-10-26-66(70)73)50-39-42-64-60(45-50)57-22-6-8-24-62(57)74(64)67-27-11-15-31-71(67)77-72-32-16-12-28-68(72)74;1-2-16-51-45(15-1)29-30-47-41-46(33-38-52(47)51)44-31-34-48(35-32-44)71(49-36-39-59-55(42-49)53-17-3-5-19-57(53)69(59)61-21-7-11-25-65(61)72-66-26-12-8-22-62(66)69)50-37-40-60-56(43-50)54-18-4-6-20-58(54)70(60)63-23-9-13-27-67(63)73-68-28-14-10-24-64(68)70/h1-45H;1-45H;1-43H.
What are the key properties of N-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine?
N-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine has a molecular weight of 2998.90 g/mol, XLogP of 57.88, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine is sourced from PubChem (CID 158578435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).