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

C218H130N16S4 — CID 158608993

IUPAC4-[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
SMILESN#Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3-4)c3ccccc23)cc1.N#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc2-3)c2ccccc12.N#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2-3)c2ccccc12.N#Cc1ccc2c(c1)C1(c3ccccc3Sc3ccccc31)c1cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)ccc1-2
InChIInChI=1S/2C57H34N4S.C53H32N4S.C51H30N4S/c58-35-42-28-29-44(45-21-8-7-20-43(42)45)40-27-31-47-46-30-26-39(33-50(46)57(51(47)34-40)48-22-9-11-24-52(48)62-53-25-12-10-23-49(53)57)38-18-13-19-41(32-38)56-60-54(36-14-3-1-4-15-36)59-55(61-56)37-16-5-2-6-17-37;58-35-36-23-25-37(26-24-36)42-31-32-43(45-18-8-7-17-44(42)45)40-27-29-46-47-30-28-41(56-60-54(38-13-3-1-4-14-38)59-55(61-56)39-15-5-2-6-16-39)34-51(47)57(50(46)33-40)48-19-9-11-21-52(48)62-53-22-12-10-20-49(53)57;54-33-34-22-28-42-43-29-27-40(32-47(43)53(46(42)30-34)44-18-7-9-20-48(44)58-49-21-10-8-19-45(49)53)39-16-11-17-41(31-39)52-56-50(37-14-5-2-6-15-37)55-51(57-52)38-25-23-36(24-26-38)35-12-3-1-4-13-35;52-31-36-25-26-38(39-18-8-7-17-37(36)39)34-23-27-40-41-28-24-35(50-54-48(32-13-3-1-4-14-32)53-49(55-50)33-15-5-2-6-16-33)30-45(41)51(44(40)29-34)42-19-9-11-21-46(42)56-47-22-12-10-20-43(47)51/h2*1-34H;1-32H;1-30H
InChIKeyHWPAAABYMHASKJ-UHFFFAOYSA-N
MW3101.82 g/mol
LogP53.42
Rot. Bonds19

About 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

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 (PubChem CID 158608993) has the molecular formula C218H130N16S4 and a molecular weight of 3101.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID158608993
Molecular FormulaC218H130N16S4
Molecular Weight3101.82 g/mol
Exact Mass3098.95
IUPAC Name4-[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
SMILESN#Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3-4)c3ccccc23)cc1.N#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc2-3)c2ccccc12.N#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2-3)c2ccccc12.N#Cc1ccc2c(c1)C1(c3ccccc3Sc3ccccc31)c1cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)ccc1-2
InChIInChI=1S/2C57H34N4S.C53H32N4S.C51H30N4S/c58-35-42-28-29-44(45-21-8-7-20-43(42)45)40-27-31-47-46-30-26-39(33-50(46)57(51(47)34-40)48-22-9-11-24-52(48)62-53-25-12-10-23-49(53)57)38-18-13-19-41(32-38)56-60-54(36-14-3-1-4-15-36)59-55(61-56)37-16-5-2-6-17-37;58-35-36-23-25-37(26-24-36)42-31-32-43(45-18-8-7-17-44(42)45)40-27-29-46-47-30-28-41(56-60-54(38-13-3-1-4-14-38)59-55(61-56)39-15-5-2-6-16-39)34-51(47)57(50(46)33-40)48-19-9-11-21-52(48)62-53-22-12-10-20-49(53)57;54-33-34-22-28-42-43-29-27-40(32-47(43)53(46(42)30-34)44-18-7-9-20-48(44)58-49-21-10-8-19-45(49)53)39-16-11-17-41(31-39)52-56-50(37-14-5-2-6-15-37)55-51(57-52)38-25-23-36(24-26-38)35-12-3-1-4-13-35;52-31-36-25-26-38(39-18-8-7-17-37(36)39)34-23-27-40-41-28-24-35(50-54-48(32-13-3-1-4-14-32)53-49(55-50)33-15-5-2-6-16-33)30-45(41)51(44(40)29-34)42-19-9-11-21-46(42)56-47-22-12-10-20-43(47)51/h2*1-34H;1-32H;1-30H
InChIKeyHWPAAABYMHASKJ-UHFFFAOYSA-N
XLogP53.42
TPSA249.84 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms238
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003101.82
LogP ≤ 553.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3-4)c3ccccc23)cc1.N#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc2-3)c2ccccc12.N#Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc2-3)c2ccccc12.N#Cc1ccc2c(c1)C1(c3ccccc3Sc3ccccc31)c1cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)ccc1-2.
What is the InChIKey of 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?
The InChIKey is HWPAAABYMHASKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H34N4S.C53H32N4S.C51H30N4S/c58-35-42-28-29-44(45-21-8-7-20-43(42)45)40-27-31-47-46-30-26-39(33-50(46)57(51(47)34-40)48-22-9-11-24-52(48)62-53-25-12-10-23-49(53)57)38-18-13-19-41(32-38)56-60-54(36-14-3-1-4-15-36)59-55(61-56)37-16-5-2-6-17-37;58-35-36-23-25-37(26-24-36)42-31-32-43(45-18-8-7-17-44(42)45)40-27-29-46-47-30-28-41(56-60-54(38-13-3-1-4-14-38)59-55(61-56)39-15-5-2-6-16-39)34-51(47)57(50(46)33-40)48-19-9-11-21-52(48)62-53-22-12-10-20-49(53)57;54-33-34-22-28-42-43-29-27-40(32-47(43)53(46(42)30-34)44-18-7-9-20-48(44)58-49-21-10-8-19-45(49)53)39-16-11-17-41(31-39)52-56-50(37-14-5-2-6-15-37)55-51(57-52)38-25-23-36(24-26-38)35-12-3-1-4-13-35;52-31-36-25-26-38(39-18-8-7-17-37(36)39)34-23-27-40-41-28-24-35(50-54-48(32-13-3-1-4-14-32)53-49(55-50)33-15-5-2-6-16-33)30-45(41)51(44(40)29-34)42-19-9-11-21-46(42)56-47-22-12-10-20-43(47)51/h2*1-34H;1-32H;1-30H.
What are the key properties of 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?
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 has a molecular weight of 3101.82 g/mol, XLogP of 53.42, 19 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158608993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).