N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine

C56H35NS2 — CID 138476029

IUPACN-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C56H35NS2/c1-2-16-36(17-3-1)57(37-30-32-41-39-18-4-6-20-43(39)55(49(41)34-37)45-22-8-12-26-51(45)58-52-27-13-9-23-46(52)55)38-31-33-42-40-19-5-7-21-44(40)56(50(42)35-38)47-24-10-14-28-53(47)59-54-29-15-11-25-48(54)56/h1-35H
InChIKeyRXLJZHRBYUUJFK-UHFFFAOYSA-N
MW786.04 g/mol
LogP14.81
Rot. Bonds3

About N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine

N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine (PubChem CID 138476029) 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]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine.

Molecular Properties

Compound NameN-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
PubChem CID138476029
Molecular FormulaC56H35NS2
Molecular Weight786.04 g/mol
Exact Mass785.22
IUPAC NameN-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C56H35NS2/c1-2-16-36(17-3-1)57(37-30-32-41-39-18-4-6-20-43(39)55(49(41)34-37)45-22-8-12-26-51(45)58-52-27-13-9-23-46(52)55)38-31-33-42-40-19-5-7-21-44(40)56(50(42)35-38)47-24-10-14-28-53(47)59-54-29-15-11-25-48(54)56/h1-35H
InChIKeyRXLJZHRBYUUJFK-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]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476081
3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,3-diamine
CID 169305086
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-thioxanthene]-9-amine
CID 164794740
N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476010
N,N-di(spiro[fluorene-9,9'-thioxanthene]-4-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138477907
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138477289
2-chloro-11-N',11-N',17-N',17-N'-tetraphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130263577
N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine
CID 164730946
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N,N-diphenylspiro[benzo[a]fluorene-11,9'-thioxanthene]-2'-amine
CID 166934032
N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476077

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The IUPAC name of N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine (CID 138476029) is N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine.
What is the SMILES notation for N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The canonical SMILES for N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
The InChIKey is RXLJZHRBYUUJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NS2/c1-2-16-36(17-3-1)57(37-30-32-41-39-18-4-6-20-43(39)55(49(41)34-37)45-22-8-12-26-51(45)58-52-27-13-9-23-46(52)55)38-31-33-42-40-19-5-7-21-44(40)56(50(42)35-38)47-24-10-14-28-53(47)59-54-29-15-11-25-48(54)56/h1-35H.
What are the key properties of N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine?
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-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]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine is sourced from PubChem (CID 138476029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).