N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine

C74H47NS2 — CID 138476676

IUPACN-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4cccc5c4-c4ccccc4C54c5ccccc5Sc5ccccc54)c4cccc5c4-c4ccccc4C54c5ccccc5Sc5ccccc54)cc3)c2)cc1
InChIInChI=1S/C74H47NS2/c1-3-21-48(22-4-1)51-45-52(49-23-5-2-6-24-49)47-53(46-51)50-41-43-54(44-42-50)75(65-35-19-33-63-71(65)55-25-7-9-27-57(55)73(63)59-29-11-15-37-67(59)76-68-38-16-12-30-60(68)73)66-36-20-34-64-72(66)56-26-8-10-28-58(56)74(64)61-31-13-17-39-69(61)77-70-40-18-14-32-62(70)74/h1-47H
InChIKeyRXNPILAOTYJYNK-UHFFFAOYSA-N
MW1014.33 g/mol
LogP19.81
Rot. Bonds6

About N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine

N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine (PubChem CID 138476676) has the molecular formula C74H47NS2 and a molecular weight of 1014.33 g/mol. Its IUPAC name is N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine.

Molecular Properties

Compound NameN-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
PubChem CID138476676
Molecular FormulaC74H47NS2
Molecular Weight1014.33 g/mol
Exact Mass1013.31
IUPAC NameN-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4cccc5c4-c4ccccc4C54c5ccccc5Sc5ccccc54)c4cccc5c4-c4ccccc4C54c5ccccc5Sc5ccccc54)cc3)c2)cc1
InChIInChI=1S/C74H47NS2/c1-3-21-48(22-4-1)51-45-52(49-23-5-2-6-24-49)47-53(46-51)50-41-43-54(44-42-50)75(65-35-19-33-63-71(65)55-25-7-9-27-57(55)73(63)59-29-11-15-37-67(59)76-68-38-16-12-30-60(68)73)66-36-20-34-64-72(66)56-26-8-10-28-58(56)74(64)61-31-13-17-39-69(61)77-70-40-18-14-32-62(70)74/h1-47H
InChIKeyRXNPILAOTYJYNK-UHFFFAOYSA-N
XLogP19.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001014.33
LogP ≤ 519.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-1-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138476285
N-[4-(3-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 168789232
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]-3'-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477854
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476202
N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138477907
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine;N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine;N-(9,9-diphenylfluoren-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine
CID 161377030
CID 118153763
CID 118153763
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477453
4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 171799079
N-spiro[fluorene-9,9'-thioxanthene]-4-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138477586

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine?
The IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine (CID 138476676) is N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine.
What is the SMILES notation for N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine?
The canonical SMILES for N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4cccc5c4-c4ccccc4C54c5ccccc5Sc5ccccc54)c4cccc5c4-c4ccccc4C54c5ccccc5Sc5ccccc54)cc3)c2)cc1.
What is the InChIKey of N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine?
The InChIKey is RXNPILAOTYJYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H47NS2/c1-3-21-48(22-4-1)51-45-52(49-23-5-2-6-24-49)47-53(46-51)50-41-43-54(44-42-50)75(65-35-19-33-63-71(65)55-25-7-9-27-57(55)73(63)59-29-11-15-37-67(59)76-68-38-16-12-30-60(68)73)66-36-20-34-64-72(66)56-26-8-10-28-58(56)74(64)61-31-13-17-39-69(61)77-70-40-18-14-32-62(70)74/h1-47H.
What are the key properties of N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine?
N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine has a molecular weight of 1014.33 g/mol, XLogP of 19.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-diphenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-4-amine is sourced from PubChem (CID 138476676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).