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

C153H92N12OS — CID 160585364

IUPAC4-[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
SMILESN#Cc1ccc(-c2cc3c(c4ccccc24)-c2ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc2C32c3ccccc3Oc3ccccc32)cc1.N#Cc1ccc(-c2cc3c(c4ccccc24)-c2ccccc2C3(c2ccccc2)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.N#Cc1cccc2c1Sc1ccccc1C21c2ccccc2-c2c1cc(-c1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc1)c1ccccc21
InChIInChI=1S/C51H30N4O.C51H30N4S.C51H32N4/c52-31-32-23-25-33(26-24-32)40-30-44-47(38-18-8-7-17-37(38)40)39-28-27-36(29-43(39)51(44)41-19-9-11-21-45(41)56-46-22-12-10-20-42(46)51)50-54-48(34-13-3-1-4-14-34)53-49(55-50)35-15-5-2-6-16-35;52-31-36-18-13-24-43-47(36)56-45-25-12-11-23-42(45)51(43)41-22-10-9-21-39(41)46-38-20-8-7-19-37(38)40(30-44(46)51)32-26-28-35(29-27-32)50-54-48(33-14-3-1-4-15-33)53-49(55-50)34-16-5-2-6-17-34;52-33-34-24-26-35(27-25-34)44-32-46-47(42-21-11-10-20-41(42)44)43-22-12-13-23-45(43)51(46,39-18-8-3-9-19-39)40-30-28-38(29-31-40)50-54-48(36-14-4-1-5-15-36)53-49(55-50)37-16-6-2-7-17-37/h2*1-30H;1-32H
InChIKeyRCIATAYPRUTQPK-UHFFFAOYSA-N
MW2146.57 g/mol
LogP36.35
Rot. Bonds14

About 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

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 (PubChem CID 160585364) has the molecular formula C153H92N12OS and a molecular weight of 2146.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID160585364
Molecular FormulaC153H92N12OS
Molecular Weight2146.57 g/mol
Exact Mass2144.72
IUPAC Name4-[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
SMILESN#Cc1ccc(-c2cc3c(c4ccccc24)-c2ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc2C32c3ccccc3Oc3ccccc32)cc1.N#Cc1ccc(-c2cc3c(c4ccccc24)-c2ccccc2C3(c2ccccc2)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.N#Cc1cccc2c1Sc1ccccc1C21c2ccccc2-c2c1cc(-c1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc1)c1ccccc21
InChIInChI=1S/C51H30N4O.C51H30N4S.C51H32N4/c52-31-32-23-25-33(26-24-32)40-30-44-47(38-18-8-7-17-37(38)40)39-28-27-36(29-43(39)51(44)41-19-9-11-21-45(41)56-46-22-12-10-20-42(46)51)50-54-48(34-13-3-1-4-14-34)53-49(55-50)35-15-5-2-6-16-35;52-31-36-18-13-24-43-47(36)56-45-25-12-11-23-42(45)51(43)41-22-10-9-21-39(41)46-38-20-8-7-19-37(38)40(30-44(46)51)32-26-28-35(29-27-32)50-54-48(33-14-3-1-4-15-33)53-49(55-50)34-16-5-2-6-17-34;52-33-34-24-26-35(27-25-34)44-32-46-47(42-21-11-10-20-41(42)44)43-22-12-13-23-45(43)51(46,39-18-8-3-9-19-39)40-30-28-38(29-31-40)50-54-48(36-14-4-1-5-15-36)53-49(55-50)37-16-6-2-7-17-37/h2*1-30H;1-32H
InChIKeyRCIATAYPRUTQPK-UHFFFAOYSA-N
XLogP36.35
TPSA196.61 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002146.57
LogP ≤ 536.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

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
4-[4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[benzo[c]fluorene-7,9'-xanthene]-5-yl]benzonitrile
CID 157175356
4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[benzo[c]fluorene-7,9'-xanthene]-4'-yl]benzonitrile
CID 161128839
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-[2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]benzonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]phenyl]benzonitrile
CID 158157997
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylbenzo[g]fluoren-9-yl]benzonitrile
CID 159211457
4-[4-[3-(9,9-diphenylxanthen-3-yl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 166031208
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-carbonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile
CID 159819243
4-[3'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]benzonitrile;4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]benzonitrile;4-[4-[2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]benzonitrile
CID 159975344
4-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(9,9-diphenylxanthen-2-yl)phenyl]-1,3,5-triazin-2-yl]benzonitrile
CID 166031441
4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]benzonitrile
CID 139476228
4-[4-[4-(9,9-diphenylxanthen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 163439529

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc(-c2cc3c(c4ccccc24)-c2ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc2C32c3ccccc3Oc3ccccc32)cc1.N#Cc1ccc(-c2cc3c(c4ccccc24)-c2ccccc2C3(c2ccccc2)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1.N#Cc1cccc2c1Sc1ccccc1C21c2ccccc2-c2c1cc(-c1ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc1)c1ccccc21.
What is the InChIKey of 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?
The InChIKey is RCIATAYPRUTQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O.C51H30N4S.C51H32N4/c52-31-32-23-25-33(26-24-32)40-30-44-47(38-18-8-7-17-37(38)40)39-28-27-36(29-43(39)51(44)41-19-9-11-21-45(41)56-46-22-12-10-20-42(46)51)50-54-48(34-13-3-1-4-14-34)53-49(55-50)35-15-5-2-6-16-35;52-31-36-18-13-24-43-47(36)56-45-25-12-11-23-42(45)51(43)41-22-10-9-21-39(41)46-38-20-8-7-19-37(38)40(30-44(46)51)32-26-28-35(29-27-32)50-54-48(33-14-3-1-4-15-33)53-49(55-50)34-16-5-2-6-17-34;52-33-34-24-26-35(27-25-34)44-32-46-47(42-21-11-10-20-41(42)44)43-22-12-13-23-45(43)51(46,39-18-8-3-9-19-39)40-30-28-38(29-31-40)50-54-48(36-14-4-1-5-15-36)53-49(55-50)37-16-6-2-7-17-37/h2*1-30H;1-32H.
What are the key properties of 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?
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 has a molecular weight of 2146.57 g/mol, XLogP of 36.35, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160585364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).