N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine

C56H35NS2 — CID 138476081

IUPACN-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3Sc3ccccc32)c2ccc3c(c2)-c2ccccc2C32c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C56H35NS2/c1-2-16-36(17-3-1)57(37-30-32-45-41(34-37)39-18-4-6-20-43(39)55(45)47-22-8-12-26-51(47)58-52-27-13-9-23-48(52)55)38-31-33-46-42(35-38)40-19-5-7-21-44(40)56(46)49-24-10-14-28-53(49)59-54-29-15-11-25-50(54)56/h1-35H
InChIKeyWDNQZIMXZDHXAB-UHFFFAOYSA-N
MW786.04 g/mol
LogP14.81
Rot. Bonds3

About N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine

N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine (PubChem CID 138476081) has the molecular formula C56H35NS2 and a molecular weight of 786.04 g/mol. Its IUPAC name is N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine.

Molecular Properties

Compound NameN-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
PubChem CID138476081
Molecular FormulaC56H35NS2
Molecular Weight786.04 g/mol
Exact Mass785.22
IUPAC NameN-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3Sc3ccccc32)c2ccc3c(c2)-c2ccccc2C32c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C56H35NS2/c1-2-16-36(17-3-1)57(37-30-32-45-41(34-37)39-18-4-6-20-43(39)55(45)47-22-8-12-26-51(47)58-52-27-13-9-23-48(52)55)38-31-33-46-42(35-38)40-19-5-7-21-44(40)56(46)49-24-10-14-28-53(49)59-54-29-15-11-25-50(54)56/h1-35H
InChIKeyWDNQZIMXZDHXAB-UHFFFAOYSA-N
XLogP14.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.04
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476029
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476010
N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476072
N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476077
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476091
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339
9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine
CID 155483400
3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167177981
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476002
N-[4-(4-phenylphenyl)phenyl]-N-spiro[benzo[b]fluorene-11,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477727
N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476078
3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 146539095

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine?
The IUPAC name of N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine (CID 138476081) is N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine.
What is the SMILES notation for N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine?
The canonical SMILES for N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine is c1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3Sc3ccccc32)c2ccc3c(c2)-c2ccccc2C32c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine?
The InChIKey is WDNQZIMXZDHXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NS2/c1-2-16-36(17-3-1)57(37-30-32-45-41(34-37)39-18-4-6-20-43(39)55(45)47-22-8-12-26-51(47)58-52-27-13-9-23-48(52)55)38-31-33-46-42(35-38)40-19-5-7-21-44(40)56(46)49-24-10-14-28-53(49)59-54-29-15-11-25-50(54)56/h1-35H.
What are the key properties of N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine?
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine has a molecular weight of 786.04 g/mol, XLogP of 14.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine is sourced from PubChem (CID 138476081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).