2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine

C44H27N3S — CID 166737951

IUPAC2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C44H27N3S/c1-2-13-29(14-3-1)41-45-42(31-23-22-28-12-4-5-15-30(28)26-31)47-43(46-41)32-24-25-38-40(27-32)48-39-21-11-10-20-37(39)44(38)35-18-8-6-16-33(35)34-17-7-9-19-36(34)44/h1-27H
InChIKeyDFQPOZGAZJOSKX-UHFFFAOYSA-N
MW629.79 g/mol
LogP10.85
Rot. Bonds3

About 2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine

2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine (PubChem CID 166737951) has the molecular formula C44H27N3S and a molecular weight of 629.79 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine
PubChem CID166737951
Molecular FormulaC44H27N3S
Molecular Weight629.79 g/mol
Exact Mass629.19
IUPAC Name2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C44H27N3S/c1-2-13-29(14-3-1)41-45-42(31-23-22-28-12-4-5-15-30(28)26-31)47-43(46-41)32-24-25-38-40(27-32)48-39-21-11-10-20-37(39)44(38)35-18-8-6-16-33(35)34-17-7-9-19-36(34)44/h1-27H
InChIKeyDFQPOZGAZJOSKX-UHFFFAOYSA-N
XLogP10.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.79
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-spiro[benzo[b]thioxanthene-12,9'-fluorene]-3-yl-1,3,5-triazine
CID 155054905
2-naphthalen-2-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)-1,3,5-triazine
CID 146327029
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-thioxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 166738043
CID 146184571
CID 146184571
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine
CID 139307428
4-naphthalen-1-yl-6-phenyl-2-[6'-[6-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)naphthalen-2-yl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine
CID 166737875
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine
CID 155767852
2,4-diphenyl-6-(4-spiro[benzo[b]thioxanthene-12,9'-fluorene]-3-ylphenyl)pyrimidine
CID 155054832
2-phenyl-4-pyridin-2-yl-6-(4-spiro[fluorene-9,9'-thioxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 166737877
4,6-bis(4-phenylphenyl)-2-[6'-[3-[4-(6-phenyl-2-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]pyrimidine
CID 166737876
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2'-yl-1,3,5-triazine
CID 166738068
2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine
CID 164821212

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine (CID 166737951) is 2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-c4ccccc43)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine?
The InChIKey is DFQPOZGAZJOSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3S/c1-2-13-29(14-3-1)41-45-42(31-23-22-28-12-4-5-15-30(28)26-31)47-43(46-41)32-24-25-38-40(27-32)48-39-21-11-10-20-37(39)44(38)35-18-8-6-16-33(35)34-17-7-9-19-36(34)44/h1-27H.
What are the key properties of 2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine?
2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine has a molecular weight of 629.79 g/mol, XLogP of 10.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine is sourced from PubChem (CID 166737951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).