4-[5-(4-cyanophenyl)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]benzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-4',8-dicarbonitrile;8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2,4'-dicarbonitrile

C150H83N15S3 — CID 159237178

IUPAC4-[5-(4-cyanophenyl)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]benzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-4',8-dicarbonitrile;8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2,4'-dicarbonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc42)c2cc(-c4ccc(C#N)cc4)c4ccccc4c2-3)cc1.N#Cc1ccc2c(c1)C1(c3ccccc3Sc3c(C#N)cccc31)c1cc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3cc1-2.N#Cc1ccc2cc3c(cc2c1)C1(c2ccccc2Sc2c(C#N)cccc21)c1cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)ccc1-3
InChIInChI=1S/C58H33N5S.2C46H25N5S/c59-34-36-22-26-38(27-23-36)42-30-31-45-50(32-42)58(51-33-47(39-28-24-37(35-60)25-29-39)43-16-7-8-17-44(43)53(45)51)48-19-9-10-21-52(48)64-54-46(18-11-20-49(54)58)57-62-55(40-12-3-1-4-13-40)61-56(63-57)41-14-5-2-6-15-41;47-26-28-18-21-35-36-24-31-19-20-32(45-50-43(29-10-3-1-4-11-29)49-44(51-45)30-12-5-2-6-13-30)23-34(31)25-40(36)46(39(35)22-28)37-15-7-8-17-41(37)52-42-33(27-48)14-9-16-38(42)46;47-26-28-18-19-31-23-36-35-21-20-32(45-50-43(29-10-3-1-4-11-29)49-44(51-45)30-12-5-2-6-13-30)24-39(35)46(40(36)25-34(31)22-28)37-15-7-8-17-41(37)52-42-33(27-48)14-9-16-38(42)46/h1-33H;2*1-25H
InChIKeyKTPWPABKYAUDPJ-UHFFFAOYSA-N
MW2191.62 g/mol
LogP35.12
Rot. Bonds11

About 4-[5-(4-cyanophenyl)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]benzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-4',8-dicarbonitrile;8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2,4'-dicarbonitrile

4-[5-(4-cyanophenyl)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]benzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-4',8-dicarbonitrile;8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2,4'-dicarbonitrile (PubChem CID 159237178) has the molecular formula C150H83N15S3 and a molecular weight of 2191.62 g/mol. Its IUPAC name is 4-[5-(4-cyanophenyl)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]benzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-4',8-dicarbonitrile;8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2,4'-dicarbonitrile.

Molecular Properties

Compound Name4-[5-(4-cyanophenyl)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]benzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-4',8-dicarbonitrile;8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2,4'-dicarbonitrile
PubChem CID159237178
Molecular FormulaC150H83N15S3
Molecular Weight2191.62 g/mol
Exact Mass2189.61
IUPAC Name4-[5-(4-cyanophenyl)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]benzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-4',8-dicarbonitrile;8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2,4'-dicarbonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc42)c2cc(-c4ccc(C#N)cc4)c4ccccc4c2-3)cc1.N#Cc1ccc2c(c1)C1(c3ccccc3Sc3c(C#N)cccc31)c1cc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3cc1-2.N#Cc1ccc2cc3c(cc2c1)C1(c2ccccc2Sc2c(C#N)cccc21)c1cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)ccc1-3
InChIInChI=1S/C58H33N5S.2C46H25N5S/c59-34-36-22-26-38(27-23-36)42-30-31-45-50(32-42)58(51-33-47(39-28-24-37(35-60)25-29-39)43-16-7-8-17-44(43)53(45)51)48-19-9-10-21-52(48)64-54-46(18-11-20-49(54)58)57-62-55(40-12-3-1-4-13-40)61-56(63-57)41-14-5-2-6-15-41;47-26-28-18-21-35-36-24-31-19-20-32(45-50-43(29-10-3-1-4-11-29)49-44(51-45)30-12-5-2-6-13-30)23-34(31)25-40(36)46(39(35)22-28)37-15-7-8-17-41(37)52-42-33(27-48)14-9-16-38(42)46;47-26-28-18-19-31-23-36-35-21-20-32(45-50-43(29-10-3-1-4-11-29)49-44(51-45)30-12-5-2-6-13-30)24-39(35)46(40(36)25-34(31)22-28)37-15-7-8-17-41(37)52-42-33(27-48)14-9-16-38(42)46/h1-33H;2*1-25H
InChIKeyKTPWPABKYAUDPJ-UHFFFAOYSA-N
XLogP35.12
TPSA258.75 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002191.62
LogP ≤ 535.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 4-[5-(4-cyanophenyl)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]benzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-4',8-dicarbonitrile;8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2,4'-dicarbonitrile with MolForge

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Related Compounds

2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-carbonitrile;4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]benzonitrile;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-carbonitrile;4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[benzo[g]fluorene-7,9'-fluorene]-9-yl]benzonitrile;2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-5-carbonitrile;5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-yl]benzonitrile
CID 162067244
4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylbenzo[c]fluoren-5-yl]benzonitrile;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[benzo[c]fluorene-7,9'-thioxanthene]-4'-carbonitrile;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[c]fluorene-7,9'-xanthene]-5-yl]benzonitrile
CID 160585364
4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]naphthalene-1-carbonitrile;4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]naphthalene-1-carbonitrile;4-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]naphthalen-1-yl]benzonitrile;7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-carbonitrile
CID 158608993
4-[4'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile
CID 146215844
7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-carbonitrile
CID 146362213
4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2'-yl]phenyl]benzonitrile
CID 139476204
7-[3-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2-carbonitrile
CID 153452214
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 159943034
4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile
CID 146362830
5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-carbonitrile
CID 155767872
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile
CID 159211457
7'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-carbonitrile
CID 146362373

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-cyanophenyl)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]benzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-4',8-dicarbonitrile;8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2,4'-dicarbonitrile?
The IUPAC name of 4-[5-(4-cyanophenyl)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]benzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-4',8-dicarbonitrile;8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2,4'-dicarbonitrile (CID 159237178) is 4-[5-(4-cyanophenyl)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]benzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-4',8-dicarbonitrile;8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2,4'-dicarbonitrile.
What is the SMILES notation for 4-[5-(4-cyanophenyl)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]benzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-4',8-dicarbonitrile;8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2,4'-dicarbonitrile?
The canonical SMILES for 4-[5-(4-cyanophenyl)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]benzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-4',8-dicarbonitrile;8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2,4'-dicarbonitrile is N#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc42)c2cc(-c4ccc(C#N)cc4)c4ccccc4c2-3)cc1.N#Cc1ccc2c(c1)C1(c3ccccc3Sc3c(C#N)cccc31)c1cc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3cc1-2.N#Cc1ccc2cc3c(cc2c1)C1(c2ccccc2Sc2c(C#N)cccc21)c1cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)ccc1-3.
What is the InChIKey of 4-[5-(4-cyanophenyl)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]benzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-4',8-dicarbonitrile;8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2,4'-dicarbonitrile?
The InChIKey is KTPWPABKYAUDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H33N5S.2C46H25N5S/c59-34-36-22-26-38(27-23-36)42-30-31-45-50(32-42)58(51-33-47(39-28-24-37(35-60)25-29-39)43-16-7-8-17-44(43)53(45)51)48-19-9-10-21-52(48)64-54-46(18-11-20-49(54)58)57-62-55(40-12-3-1-4-13-40)61-56(63-57)41-14-5-2-6-15-41;47-26-28-18-21-35-36-24-31-19-20-32(45-50-43(29-10-3-1-4-11-29)49-44(51-45)30-12-5-2-6-13-30)23-34(31)25-40(36)46(39(35)22-28)37-15-7-8-17-41(37)52-42-33(27-48)14-9-16-38(42)46;47-26-28-18-19-31-23-36-35-21-20-32(45-50-43(29-10-3-1-4-11-29)49-44(51-45)30-12-5-2-6-13-30)24-39(35)46(40(36)25-34(31)22-28)37-15-7-8-17-41(37)52-42-33(27-48)14-9-16-38(42)46/h1-33H;2*1-25H.
What are the key properties of 4-[5-(4-cyanophenyl)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]benzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-4',8-dicarbonitrile;8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2,4'-dicarbonitrile?
4-[5-(4-cyanophenyl)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]benzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-4',8-dicarbonitrile;8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2,4'-dicarbonitrile has a molecular weight of 2191.62 g/mol, XLogP of 35.12, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-cyanophenyl)-4'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yl]benzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-4',8-dicarbonitrile;8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzo[b]fluorene-11,9'-thioxanthene]-2,4'-dicarbonitrile is sourced from PubChem (CID 159237178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).