2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine

C40H23N5S — CID 134529390

IUPAC2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)ccc2-c2sc3ccccc3c21
InChIInChI=1S/C40H23N5S/c1-4-10-31-27(7-1)28-8-2-5-11-32(28)40(31)33-23-26(13-14-29(33)36-35(40)30-9-3-6-12-34(30)46-36)39-44-37(24-15-19-41-20-16-24)43-38(45-39)25-17-21-42-22-18-25/h1-23H
InChIKeyJJJDYQFXBLSJJI-UHFFFAOYSA-N
MW605.73 g/mol
LogP9.22
Rot. Bonds3

About 2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine

2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine (PubChem CID 134529390) has the molecular formula C40H23N5S and a molecular weight of 605.73 g/mol. Its IUPAC name is 2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine
PubChem CID134529390
Molecular FormulaC40H23N5S
Molecular Weight605.73 g/mol
Exact Mass605.17
IUPAC Name2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)ccc2-c2sc3ccccc3c21
InChIInChI=1S/C40H23N5S/c1-4-10-31-27(7-1)28-8-2-5-11-32(28)40(31)33-23-26(13-14-29(33)36-35(40)30-9-3-6-12-34(30)46-36)39-44-37(24-15-19-41-20-16-24)43-38(45-39)25-17-21-42-22-18-25/h1-23H
InChIKeyJJJDYQFXBLSJJI-UHFFFAOYSA-N
XLogP9.22
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.73
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)-1,3,5-triazine
CID 134529357
2-[4-[4-[4-[6-naphthalen-1-yl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine
CID 134533556
3-(10-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylanthracen-9-yl)pyridine
CID 126652979
2,4-dipyridin-4-yl-6-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'-yl-1,3,5-triazine
CID 130267940
2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyrimidine
CID 134529406
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylpyrimidine
CID 134529343
2-naphthalen-1-yl-6-phenyl-4-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-ylphenyl)pyridine;2-naphthalen-1-yl-6-phenyl-4-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-ylphenyl)pyridine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-yl-1,3,5-triazine
CID 159998892
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1,3,5-triazine
CID 134529412
2-(9,9-dimethylfluoren-2-yl)-4-[4-[1-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-yl]phenyl]-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-9'-yl-1,3,5-triazine
CID 134533487
8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline
CID 134529399
2-dibenzothiophen-4-yl-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 176587632
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166024839

Frequently Asked Questions

What is the IUPAC name of 2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine?
The IUPAC name of 2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine (CID 134529390) is 2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine?
The canonical SMILES for 2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine is c1ccc2c(c1)-c1ccccc1C21c2cc(-c3nc(-c4ccncc4)nc(-c4ccncc4)n3)ccc2-c2sc3ccccc3c21.
What is the InChIKey of 2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine?
The InChIKey is JJJDYQFXBLSJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N5S/c1-4-10-31-27(7-1)28-8-2-5-11-32(28)40(31)33-23-26(13-14-29(33)36-35(40)30-9-3-6-12-34(30)46-36)39-44-37(24-15-19-41-20-16-24)43-38(45-39)25-17-21-42-22-18-25/h1-23H.
What are the key properties of 2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine?
2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine has a molecular weight of 605.73 g/mol, XLogP of 9.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dipyridin-4-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2'-yl-1,3,5-triazine is sourced from PubChem (CID 134529390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).