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

C40H23N5S — CID 134529509

IUPAC2,4-dipyridin-3-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-yl-1,3,5-triazine
SMILESc1cncc(-c2nc(-c3cccnc3)nc(-c3cccc4c3-c3c(sc5ccccc35)C43c4ccccc4-c4ccccc43)n2)c1
InChIInChI=1S/C40H23N5S/c1-4-16-30-26(12-1)27-13-2-5-17-31(27)40(30)32-18-7-15-29(34(32)35-28-14-3-6-19-33(28)46-36(35)40)39-44-37(24-10-8-20-41-22-24)43-38(45-39)25-11-9-21-42-23-25/h1-23H
InChIKeyFOXOORIAVCWPNV-UHFFFAOYSA-N
MW605.73 g/mol
LogP9.22
Rot. Bonds3

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

2,4-dipyridin-3-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-yl-1,3,5-triazine (PubChem CID 134529509) has the molecular formula C40H23N5S and a molecular weight of 605.73 g/mol. Its IUPAC name is 2,4-dipyridin-3-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dipyridin-3-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-yl-1,3,5-triazine
PubChem CID134529509
Molecular FormulaC40H23N5S
Molecular Weight605.73 g/mol
Exact Mass605.17
IUPAC Name2,4-dipyridin-3-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-yl-1,3,5-triazine
SMILESc1cncc(-c2nc(-c3cccnc3)nc(-c3cccc4c3-c3c(sc5ccccc35)C43c4ccccc4-c4ccccc43)n2)c1
InChIInChI=1S/C40H23N5S/c1-4-16-30-26(12-1)27-13-2-5-17-31(27)40(30)32-18-7-15-29(34(32)35-28-14-3-6-19-33(28)46-36(35)40)39-44-37(24-10-8-20-41-22-24)43-38(45-39)25-11-9-21-42-23-25/h1-23H
InChIKeyFOXOORIAVCWPNV-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-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146632054
2-naphthalen-1-yl-4-phenyl-6-(2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)-1,3,5-triazine
CID 134529459
spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]
CID 134529610
2,4-diphenyl-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4-ylpyrimidine;4-naphthalen-1-yl-6-phenyl-2-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-7'-ylphenyl)pyrimidine
CID 158407712
2,4-dipyridin-3-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 130261375
3-(10-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylanthracen-9-yl)pyridine
CID 126652979
4-phenyl-2-(4-phenylphenyl)-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine
CID 134529499
2-pyridin-3-yl-4-spiro[fluorene-9,9'-xanthene]-4-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 167126769
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine
CID 134529484
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 166024922
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
4-naphthalen-2-yl-6-phenyl-2-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-ylphenyl)pyrimidine
CID 134529496

Frequently Asked Questions

What is the IUPAC name of 2,4-dipyridin-3-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-yl-1,3,5-triazine?
The IUPAC name of 2,4-dipyridin-3-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-yl-1,3,5-triazine (CID 134529509) is 2,4-dipyridin-3-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-dipyridin-3-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-yl-1,3,5-triazine?
The canonical SMILES for 2,4-dipyridin-3-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-yl-1,3,5-triazine is c1cncc(-c2nc(-c3cccnc3)nc(-c3cccc4c3-c3c(sc5ccccc35)C43c4ccccc4-c4ccccc43)n2)c1.
What is the InChIKey of 2,4-dipyridin-3-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-yl-1,3,5-triazine?
The InChIKey is FOXOORIAVCWPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N5S/c1-4-16-30-26(12-1)27-13-2-5-17-31(27)40(30)32-18-7-15-29(34(32)35-28-14-3-6-19-33(28)46-36(35)40)39-44-37(24-10-8-20-41-22-24)43-38(45-39)25-11-9-21-42-23-25/h1-23H.
What are the key properties of 2,4-dipyridin-3-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-yl-1,3,5-triazine?
2,4-dipyridin-3-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-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-3-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-10'-yl-1,3,5-triazine is sourced from PubChem (CID 134529509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).