11-[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-5,6-dihydrobenzo[b][1]benzazepine;9-[3,5-di(carbazol-9-yl)-2,4-difluoro-6-(trifluoromethyl)phenyl]carbazole;2,4,6-tris(benzo[b][1]benzazepin-11-yl)pyrimidine-5-carbonitrile;2,4,6-tris(9,9-dimethylacridin-10-yl)-3-methyl-5-(trifluoromethyl)benzonitrile

C191H135F11N18 — CID 159817192

IUPAC11-[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-5,6-dihydrobenzo[b][1]benzazepine;9-[3,5-di(carbazol-9-yl)-2,4-difluoro-6-(trifluoromethyl)phenyl]carbazole;2,4,6-tris(benzo[b][1]benzazepin-11-yl)pyrimidine-5-carbonitrile;2,4,6-tris(9,9-dimethylacridin-10-yl)-3-methyl-5-(trifluoromethyl)benzonitrile
SMILESCc1c(N2c3ccccc3C(C)(C)c3ccccc32)c(C#N)c(N2c3ccccc3C(C)(C)c3ccccc32)c(C(F)(F)F)c1N1c2ccccc2C(C)(C)c2ccccc21.FC(F)(F)c1c(N2c3ccccc3CCc3ccccc32)nc(N2c3ccccc3CCc3ccccc32)nc1N1c2ccccc2CCc2ccccc21.Fc1c(-n2c3ccccc3c3ccccc32)c(F)c(-n2c3ccccc3c3ccccc32)c(C(F)(F)F)c1-n1c2ccccc2c2ccccc21.N#Cc1c(N2c3ccccc3C=Cc3ccccc32)nc(N2c3ccccc3C=Cc3ccccc32)nc1N1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C54H45F3N4.C47H36F3N5.C47H30N6.C43H24F5N3/c1-33-48(59-41-26-14-8-20-35(41)51(2,3)36-21-9-15-27-42(36)59)34(32-58)50(61-45-30-18-12-24-39(45)53(6,7)40-25-13-19-31-46(40)61)47(54(55,56)57)49(33)60-43-28-16-10-22-37(43)52(4,5)38-23-11-17-29-44(38)60;48-47(49,50)43-44(53-37-19-7-1-13-31(37)25-26-32-14-2-8-20-38(32)53)51-46(55-41-23-11-5-17-35(41)29-30-36-18-6-12-24-42(36)55)52-45(43)54-39-21-9-3-15-33(39)27-28-34-16-4-10-22-40(34)54;48-31-38-45(51-39-19-7-1-13-32(39)25-26-33-14-2-8-20-40(33)51)49-47(53-43-23-11-5-17-36(43)29-30-37-18-6-12-24-44(37)53)50-46(38)52-41-21-9-3-15-34(41)27-28-35-16-4-10-22-42(35)52;44-38-40(49-31-19-7-1-13-25(31)26-14-2-8-20-32(26)49)37(43(46,47)48)41(50-33-21-9-3-15-27(33)28-16-4-10-22-34(28)50)39(45)42(38)51-35-23-11-5-17-29(35)30-18-6-12-24-36(30)51/h8-31H,1-7H3;1-24H,25-30H2;1-30H;1-24H
InChIKeyNLTLXTSFTXEAGI-UHFFFAOYSA-N
MW2891.28 g/mol
LogP51.90
Rot. Bonds12

About 11-[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-5,6-dihydrobenzo[b][1]benzazepine;9-[3,5-di(carbazol-9-yl)-2,4-difluoro-6-(trifluoromethyl)phenyl]carbazole;2,4,6-tris(benzo[b][1]benzazepin-11-yl)pyrimidine-5-carbonitrile;2,4,6-tris(9,9-dimethylacridin-10-yl)-3-methyl-5-(trifluoromethyl)benzonitrile

11-[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-5,6-dihydrobenzo[b][1]benzazepine;9-[3,5-di(carbazol-9-yl)-2,4-difluoro-6-(trifluoromethyl)phenyl]carbazole;2,4,6-tris(benzo[b][1]benzazepin-11-yl)pyrimidine-5-carbonitrile;2,4,6-tris(9,9-dimethylacridin-10-yl)-3-methyl-5-(trifluoromethyl)benzonitrile (PubChem CID 159817192) has the molecular formula C191H135F11N18 and a molecular weight of 2891.28 g/mol. Its IUPAC name is 11-[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-5,6-dihydrobenzo[b][1]benzazepine;9-[3,5-di(carbazol-9-yl)-2,4-difluoro-6-(trifluoromethyl)phenyl]carbazole;2,4,6-tris(benzo[b][1]benzazepin-11-yl)pyrimidine-5-carbonitrile;2,4,6-tris(9,9-dimethylacridin-10-yl)-3-methyl-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name11-[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-5,6-dihydrobenzo[b][1]benzazepine;9-[3,5-di(carbazol-9-yl)-2,4-difluoro-6-(trifluoromethyl)phenyl]carbazole;2,4,6-tris(benzo[b][1]benzazepin-11-yl)pyrimidine-5-carbonitrile;2,4,6-tris(9,9-dimethylacridin-10-yl)-3-methyl-5-(trifluoromethyl)benzonitrile
PubChem CID159817192
Molecular FormulaC191H135F11N18
Molecular Weight2891.28 g/mol
Exact Mass2889.09
IUPAC Name11-[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-5,6-dihydrobenzo[b][1]benzazepine;9-[3,5-di(carbazol-9-yl)-2,4-difluoro-6-(trifluoromethyl)phenyl]carbazole;2,4,6-tris(benzo[b][1]benzazepin-11-yl)pyrimidine-5-carbonitrile;2,4,6-tris(9,9-dimethylacridin-10-yl)-3-methyl-5-(trifluoromethyl)benzonitrile
SMILESCc1c(N2c3ccccc3C(C)(C)c3ccccc32)c(C#N)c(N2c3ccccc3C(C)(C)c3ccccc32)c(C(F)(F)F)c1N1c2ccccc2C(C)(C)c2ccccc21.FC(F)(F)c1c(N2c3ccccc3CCc3ccccc32)nc(N2c3ccccc3CCc3ccccc32)nc1N1c2ccccc2CCc2ccccc21.Fc1c(-n2c3ccccc3c3ccccc32)c(F)c(-n2c3ccccc3c3ccccc32)c(C(F)(F)F)c1-n1c2ccccc2c2ccccc21.N#Cc1c(N2c3ccccc3C=Cc3ccccc32)nc(N2c3ccccc3C=Cc3ccccc32)nc1N1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C54H45F3N4.C47H36F3N5.C47H30N6.C43H24F5N3/c1-33-48(59-41-26-14-8-20-35(41)51(2,3)36-21-9-15-27-42(36)59)34(32-58)50(61-45-30-18-12-24-39(45)53(6,7)40-25-13-19-31-46(40)61)47(54(55,56)57)49(33)60-43-28-16-10-22-37(43)52(4,5)38-23-11-17-29-44(38)60;48-47(49,50)43-44(53-37-19-7-1-13-31(37)25-26-32-14-2-8-20-38(32)53)51-46(55-41-23-11-5-17-35(41)29-30-36-18-6-12-24-42(36)55)52-45(43)54-39-21-9-3-15-33(39)27-28-34-16-4-10-22-40(34)54;48-31-38-45(51-39-19-7-1-13-32(39)25-26-33-14-2-8-20-40(33)51)49-47(53-43-23-11-5-17-36(43)29-30-37-18-6-12-24-44(37)53)50-46(38)52-41-21-9-3-15-34(41)27-28-35-16-4-10-22-42(35)52;44-38-40(49-31-19-7-1-13-25(31)26-14-2-8-20-32(26)49)37(43(46,47)48)41(50-33-21-9-3-15-27(33)28-16-4-10-22-34(28)50)39(45)42(38)51-35-23-11-5-17-29(35)30-18-6-12-24-36(30)51/h8-31H,1-7H3;1-24H,25-30H2;1-30H;1-24H
InChIKeyNLTLXTSFTXEAGI-UHFFFAOYSA-N
XLogP51.90
TPSA143.09 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002891.28
LogP ≤ 551.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 11-[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-5,6-dihydrobenzo[b][1]benzazepine;9-[3,5-di(carbazol-9-yl)-2,4-difluoro-6-(trifluoromethyl)phenyl]carbazole;2,4,6-tris(benzo[b][1]benzazepin-11-yl)pyrimidine-5-carbonitrile;2,4,6-tris(9,9-dimethylacridin-10-yl)-3-methyl-5-(trifluoromethyl)benzonitrile with MolForge

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Related Compounds

2,3,5,6-tetrakis(benzo[b][1]benzazepin-11-yl)-4-(trifluoromethyl)benzonitrile;2,3,5,6-tetrakis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-4-(trifluoromethyl)benzonitrile;2,3,5,6-tetrakis(9,9-dimethylacridin-10-yl)-4-(trifluoromethyl)benzonitrile
CID 159645026
2,4,6-tris(9,9-dimethylacridin-10-yl)-3,5-bis(trifluoromethyl)benzonitrile
CID 134183428
2,4,5-tri(carbazol-9-yl)-6-[3-[9-[2,3,4,6-tetra(carbazol-9-yl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 139302869
11-[3,5-bis(benzo[b][1]benzazepin-11-yl)-2,4-difluoro-6-(trifluoromethyl)phenyl]benzo[b][1]benzazepine
CID 134169911
2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile
CID 137369356
2,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,6-bis(9,9-dimethyl-10-phenylacridin-4-yl)pyridine-4-carbonitrile
CID 137368970
2-carbazol-9-yl-4,6-bis(3,6-dimethylcarbazol-9-yl)pyrimidine-5-carbonitrile
CID 153461375
2,4-di(carbazol-9-yl)-3,5-difluoro-6-[3-[7-(trifluoromethyl)-9H-carbazol-2-yl]carbazol-9-yl]benzonitrile
CID 146532461
4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile
CID 137368773
2,3,4,6-tetra(carbazol-9-yl)-5-fluorobenzonitrile
CID 122401000
11-[2,4,6-tris(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3,5-bis(trifluoromethyl)phenyl]-5,6-dihydrobenzo[b][1]benzazepine
CID 134169828
10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
CID 59399619

Frequently Asked Questions

What is the IUPAC name of 11-[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-5,6-dihydrobenzo[b][1]benzazepine;9-[3,5-di(carbazol-9-yl)-2,4-difluoro-6-(trifluoromethyl)phenyl]carbazole;2,4,6-tris(benzo[b][1]benzazepin-11-yl)pyrimidine-5-carbonitrile;2,4,6-tris(9,9-dimethylacridin-10-yl)-3-methyl-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 11-[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-5,6-dihydrobenzo[b][1]benzazepine;9-[3,5-di(carbazol-9-yl)-2,4-difluoro-6-(trifluoromethyl)phenyl]carbazole;2,4,6-tris(benzo[b][1]benzazepin-11-yl)pyrimidine-5-carbonitrile;2,4,6-tris(9,9-dimethylacridin-10-yl)-3-methyl-5-(trifluoromethyl)benzonitrile (CID 159817192) is 11-[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-5,6-dihydrobenzo[b][1]benzazepine;9-[3,5-di(carbazol-9-yl)-2,4-difluoro-6-(trifluoromethyl)phenyl]carbazole;2,4,6-tris(benzo[b][1]benzazepin-11-yl)pyrimidine-5-carbonitrile;2,4,6-tris(9,9-dimethylacridin-10-yl)-3-methyl-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 11-[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-5,6-dihydrobenzo[b][1]benzazepine;9-[3,5-di(carbazol-9-yl)-2,4-difluoro-6-(trifluoromethyl)phenyl]carbazole;2,4,6-tris(benzo[b][1]benzazepin-11-yl)pyrimidine-5-carbonitrile;2,4,6-tris(9,9-dimethylacridin-10-yl)-3-methyl-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 11-[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-5,6-dihydrobenzo[b][1]benzazepine;9-[3,5-di(carbazol-9-yl)-2,4-difluoro-6-(trifluoromethyl)phenyl]carbazole;2,4,6-tris(benzo[b][1]benzazepin-11-yl)pyrimidine-5-carbonitrile;2,4,6-tris(9,9-dimethylacridin-10-yl)-3-methyl-5-(trifluoromethyl)benzonitrile is Cc1c(N2c3ccccc3C(C)(C)c3ccccc32)c(C#N)c(N2c3ccccc3C(C)(C)c3ccccc32)c(C(F)(F)F)c1N1c2ccccc2C(C)(C)c2ccccc21.FC(F)(F)c1c(N2c3ccccc3CCc3ccccc32)nc(N2c3ccccc3CCc3ccccc32)nc1N1c2ccccc2CCc2ccccc21.Fc1c(-n2c3ccccc3c3ccccc32)c(F)c(-n2c3ccccc3c3ccccc32)c(C(F)(F)F)c1-n1c2ccccc2c2ccccc21.N#Cc1c(N2c3ccccc3C=Cc3ccccc32)nc(N2c3ccccc3C=Cc3ccccc32)nc1N1c2ccccc2C=Cc2ccccc21.
What is the InChIKey of 11-[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-5,6-dihydrobenzo[b][1]benzazepine;9-[3,5-di(carbazol-9-yl)-2,4-difluoro-6-(trifluoromethyl)phenyl]carbazole;2,4,6-tris(benzo[b][1]benzazepin-11-yl)pyrimidine-5-carbonitrile;2,4,6-tris(9,9-dimethylacridin-10-yl)-3-methyl-5-(trifluoromethyl)benzonitrile?
The InChIKey is NLTLXTSFTXEAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45F3N4.C47H36F3N5.C47H30N6.C43H24F5N3/c1-33-48(59-41-26-14-8-20-35(41)51(2,3)36-21-9-15-27-42(36)59)34(32-58)50(61-45-30-18-12-24-39(45)53(6,7)40-25-13-19-31-46(40)61)47(54(55,56)57)49(33)60-43-28-16-10-22-37(43)52(4,5)38-23-11-17-29-44(38)60;48-47(49,50)43-44(53-37-19-7-1-13-31(37)25-26-32-14-2-8-20-38(32)53)51-46(55-41-23-11-5-17-35(41)29-30-36-18-6-12-24-42(36)55)52-45(43)54-39-21-9-3-15-33(39)27-28-34-16-4-10-22-40(34)54;48-31-38-45(51-39-19-7-1-13-32(39)25-26-33-14-2-8-20-40(33)51)49-47(53-43-23-11-5-17-36(43)29-30-37-18-6-12-24-44(37)53)50-46(38)52-41-21-9-3-15-34(41)27-28-35-16-4-10-22-42(35)52;44-38-40(49-31-19-7-1-13-25(31)26-14-2-8-20-32(26)49)37(43(46,47)48)41(50-33-21-9-3-15-27(33)28-16-4-10-22-34(28)50)39(45)42(38)51-35-23-11-5-17-29(35)30-18-6-12-24-36(30)51/h8-31H,1-7H3;1-24H,25-30H2;1-30H;1-24H.
What are the key properties of 11-[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-5,6-dihydrobenzo[b][1]benzazepine;9-[3,5-di(carbazol-9-yl)-2,4-difluoro-6-(trifluoromethyl)phenyl]carbazole;2,4,6-tris(benzo[b][1]benzazepin-11-yl)pyrimidine-5-carbonitrile;2,4,6-tris(9,9-dimethylacridin-10-yl)-3-methyl-5-(trifluoromethyl)benzonitrile?
11-[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-5,6-dihydrobenzo[b][1]benzazepine;9-[3,5-di(carbazol-9-yl)-2,4-difluoro-6-(trifluoromethyl)phenyl]carbazole;2,4,6-tris(benzo[b][1]benzazepin-11-yl)pyrimidine-5-carbonitrile;2,4,6-tris(9,9-dimethylacridin-10-yl)-3-methyl-5-(trifluoromethyl)benzonitrile has a molecular weight of 2891.28 g/mol, XLogP of 51.90, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2,6-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-5,6-dihydrobenzo[b][1]benzazepine;9-[3,5-di(carbazol-9-yl)-2,4-difluoro-6-(trifluoromethyl)phenyl]carbazole;2,4,6-tris(benzo[b][1]benzazepin-11-yl)pyrimidine-5-carbonitrile;2,4,6-tris(9,9-dimethylacridin-10-yl)-3-methyl-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 159817192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).