N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine

C75H45NS3 — CID 138477907

IUPACN,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc21
InChIInChI=1S/C75H45NS3/c1-4-24-51-47(21-1)48-44-43-46(45-62(48)75(51)58-31-11-17-41-69(58)79-70-42-18-12-32-59(70)75)76(63-35-19-33-60-71(63)49-22-2-5-25-52(49)73(60)54-27-7-13-37-65(54)77-66-38-14-8-28-55(66)73)64-36-20-34-61-72(64)50-23-3-6-26-53(50)74(61)56-29-9-15-39-67(56)78-68-40-16-10-30-57(68)74/h1-45H
InChIKeyPXDGKMACKQFQQW-UHFFFAOYSA-N
MW1056.39 g/mol
LogP19.64
Rot. Bonds3

About N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine

N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine (PubChem CID 138477907) has the molecular formula C75H45NS3 and a molecular weight of 1056.39 g/mol. Its IUPAC name is N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine.

Molecular Properties

Compound NameN,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine
PubChem CID138477907
Molecular FormulaC75H45NS3
Molecular Weight1056.39 g/mol
Exact Mass1055.27
IUPAC NameN,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc21
InChIInChI=1S/C75H45NS3/c1-4-24-51-47(21-1)48-44-43-46(45-62(48)75(51)58-31-11-17-41-69(58)79-70-42-18-12-32-59(70)75)76(63-35-19-33-60-71(63)49-22-2-5-25-52(49)73(60)54-27-7-13-37-65(54)77-66-38-14-8-28-55(66)73)64-36-20-34-61-72(64)50-23-3-6-26-53(50)74(61)56-29-9-15-39-67(56)78-68-40-16-10-30-57(68)74/h1-45H
InChIKeyPXDGKMACKQFQQW-UHFFFAOYSA-N
XLogP19.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001056.39
LogP ≤ 519.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138477289
N-(9,9-diphenylfluoren-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476709
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138477601
N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-thioxanthene]-4-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-xanthene]-2-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 160801103
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477453
N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477465
N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
CID 138476676
N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 167095079
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138475996
N-(9,9'-spirobi[fluorene]-4-yl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309031
N,N-di(spiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476433
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138476718

Frequently Asked Questions

What is the IUPAC name of N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine?
The IUPAC name of N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine (CID 138477907) is N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine.
What is the SMILES notation for N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine?
The canonical SMILES for N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine is c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc21.
What is the InChIKey of N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine?
The InChIKey is PXDGKMACKQFQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H45NS3/c1-4-24-51-47(21-1)48-44-43-46(45-62(48)75(51)58-31-11-17-41-69(58)79-70-42-18-12-32-59(70)75)76(63-35-19-33-60-71(63)49-22-2-5-25-52(49)73(60)54-27-7-13-37-65(54)77-66-38-14-8-28-55(66)73)64-36-20-34-61-72(64)50-23-3-6-26-53(50)74(61)56-29-9-15-39-67(56)78-68-40-16-10-30-57(68)74/h1-45H.
What are the key properties of N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine?
N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine has a molecular weight of 1056.39 g/mol, XLogP of 19.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine is sourced from PubChem (CID 138477907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).