N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine

C66H41NS2 — CID 138476072

IUPACN-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21
InChIInChI=1S/C66H41NS2/c1-2-16-44-39-45(30-29-42(44)15-1)43-31-33-46(34-32-43)67(47-35-37-55-51(40-47)49-17-3-5-19-53(49)65(55)57-21-7-11-25-61(57)68-62-26-12-8-22-58(62)65)48-36-38-56-52(41-48)50-18-4-6-20-54(50)66(56)59-23-9-13-27-63(59)69-64-28-14-10-24-60(64)66/h1-41H
InChIKeyJFHCZOCRPHOBJS-UHFFFAOYSA-N
MW912.20 g/mol
LogP17.63
Rot. Bonds4

About N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine

N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine (PubChem CID 138476072) has the molecular formula C66H41NS2 and a molecular weight of 912.20 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
PubChem CID138476072
Molecular FormulaC66H41NS2
Molecular Weight912.20 g/mol
Exact Mass911.27
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21
InChIInChI=1S/C66H41NS2/c1-2-16-44-39-45(30-29-42(44)15-1)43-31-33-46(34-32-43)67(47-35-37-55-51(40-47)49-17-3-5-19-53(49)65(55)57-21-7-11-25-61(57)68-62-26-12-8-22-58(62)65)48-36-38-56-52(41-48)50-18-4-6-20-54(50)66(56)59-23-9-13-27-63(59)69-64-28-14-10-24-60(64)66/h1-41H
InChIKeyJFHCZOCRPHOBJS-UHFFFAOYSA-N
XLogP17.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.20
LogP ≤ 517.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476078
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 138476081
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-phenylspiro[fluorene-9,9'-xanthene]-3-amine
CID 167177758
N-[4-(4-phenylphenyl)phenyl]-N-spiro[benzo[b]fluorene-11,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477727
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
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 159388260
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine
CID 167177545
N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122470393
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339
N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476996

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine (CID 138476072) is N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine is c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4Sc4ccccc43)ccc21.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine?
The InChIKey is JFHCZOCRPHOBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41NS2/c1-2-16-44-39-45(30-29-42(44)15-1)43-31-33-46(34-32-43)67(47-35-37-55-51(40-47)49-17-3-5-19-53(49)65(55)57-21-7-11-25-61(57)68-62-26-12-8-22-58(62)65)48-36-38-56-52(41-48)50-18-4-6-20-54(50)66(56)59-23-9-13-27-63(59)69-64-28-14-10-24-60(64)66/h1-41H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine?
N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine has a molecular weight of 912.20 g/mol, XLogP of 17.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine is sourced from PubChem (CID 138476072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).