4-benzo[b][1]benzazepin-11-yl-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenothiazine;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenoxazine;2,3,6-trifluoro-4-(11H-indolo[3,2-b]carbazol-5-yl)-5-(trifluoromethyl)benzonitrile

C109H51F32N9OS — CID 159028655

About 4-benzo[b][1]benzazepin-11-yl-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenothiazine;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenoxazine;2,3,6-trifluoro-4-(11H-indolo[3,2-b]carbazol-5-yl)-5-(trifluoromethyl)benzonitrile

4-benzo[b][1]benzazepin-11-yl-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenothiazine;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenoxazine;2,3,6-trifluoro-4-(11H-indolo[3,2-b]carbazol-5-yl)-5-(trifluoromethyl)benzonitrile (PubChem CID 159028655) has the molecular formula C109H51F32N9OS and a molecular weight of 2142.67 g/mol. Its IUPAC name is 4-benzo[b][1]benzazepin-11-yl-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenothiazine;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenoxazine;2,3,6-trifluoro-4-(11H-indolo[3,2-b]carbazol-5-yl)-5-(trifluoromethyl)benzonitrile.

Molecular Properties

• Compound Name: 4-benzo[b][1]benzazepin-11-yl-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenothiazine;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenoxazine;2,3,6-trifluoro-4-(11H-indolo[3,2-b]carbazol-5-yl)-5-(trifluoromethyl)benzonitrile
• PubChem CID: 159028655
• Molecular Formula: C109H51F32N9OS
• Molecular Weight: 2142.67 g/mol
• Exact Mass: 2141.34
• IUPAC Name: 4-benzo[b][1]benzazepin-11-yl-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenothiazine;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenoxazine;2,3,6-trifluoro-4-(11H-indolo[3,2-b]carbazol-5-yl)-5-(trifluoromethyl)benzonitrile
• SMILES: CC1(C)c2ccccc2N(c2c(F)c(F)c(C#N)c(F)c2C(F)(F)F)c2ccccc21.Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N1c2ccccc2Oc2ccccc21.Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N1c2ccccc2Sc2ccccc21.N#Cc1c(F)c(F)c(-n2c3ccccc3c3cc4[nH]c5ccccc5c4cc32)c(C(F)(F)F)c1F.N#Cc1c(F)c(F)c(N2c3ccccc3C=Cc3ccccc32)c(C(F)(F)F)c1F
• InChI: InChI=1S/C26H11F6N3.C23H14F6N2.C22H10F6N2.C19H8F7NO.C19H8F7NS/c27-22-16(11-33)23(28)24(29)25(21(22)26(30,31)32)35-19-8-4-2-6-13(19)15-9-18-14(10-20(15)35)12-5-1-3-7-17(12)34-18;1-22(2)13-7-3-5-9-15(13)31(16-10-6-4-8-14(16)22)21-17(23(27,28)29)18(24)12(11-30)19(25)20(21)26;23-18-14(11-29)19(24)20(25)21(17(18)22(26,27)28)30-15-7-3-1-5-12(15)9-10-13-6-2-4-8-16(13)30;2*20-14-13(19(24,25)26)15(21)17(23)18(16(14)22)27-9-5-1-3-7-11(9)28-12-8-4-2-6-10(12)27/h1-10,34H;3-10H,1-2H3;1-10H;2*1-8H
• InChIKey: JUPCNTZTCWDXGY-UHFFFAOYSA-N
• XLogP: 35.81
• TPSA: 114.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2142.67
LogP ≤ 5	35.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-benzo[b][1]benzazepin-11-yl-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenothiazine;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenoxazine;2,3,6-trifluoro-4-(11H-indolo[3,2-b]carbazol-5-yl)-5-(trifluoromethyl)benzonitrile?

The IUPAC name of 4-benzo[b][1]benzazepin-11-yl-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenothiazine;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenoxazine;2,3,6-trifluoro-4-(11H-indolo[3,2-b]carbazol-5-yl)-5-(trifluoromethyl)benzonitrile (CID 159028655) is 4-benzo[b][1]benzazepin-11-yl-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenothiazine;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenoxazine;2,3,6-trifluoro-4-(11H-indolo[3,2-b]carbazol-5-yl)-5-(trifluoromethyl)benzonitrile.

What is the SMILES notation for 4-benzo[b][1]benzazepin-11-yl-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenothiazine;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenoxazine;2,3,6-trifluoro-4-(11H-indolo[3,2-b]carbazol-5-yl)-5-(trifluoromethyl)benzonitrile?

The canonical SMILES for 4-benzo[b][1]benzazepin-11-yl-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenothiazine;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenoxazine;2,3,6-trifluoro-4-(11H-indolo[3,2-b]carbazol-5-yl)-5-(trifluoromethyl)benzonitrile is CC1(C)c2ccccc2N(c2c(F)c(F)c(C#N)c(F)c2C(F)(F)F)c2ccccc21.Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N1c2ccccc2Oc2ccccc21.Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N1c2ccccc2Sc2ccccc21.N#Cc1c(F)c(F)c(-n2c3ccccc3c3cc4[nH]c5ccccc5c4cc32)c(C(F)(F)F)c1F.N#Cc1c(F)c(F)c(N2c3ccccc3C=Cc3ccccc32)c(C(F)(F)F)c1F.

What is the InChIKey of 4-benzo[b][1]benzazepin-11-yl-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenothiazine;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenoxazine;2,3,6-trifluoro-4-(11H-indolo[3,2-b]carbazol-5-yl)-5-(trifluoromethyl)benzonitrile?

The InChIKey is JUPCNTZTCWDXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H11F6N3.C23H14F6N2.C22H10F6N2.C19H8F7NO.C19H8F7NS/c27-22-16(11-33)23(28)24(29)25(21(22)26(30,31)32)35-19-8-4-2-6-13(19)15-9-18-14(10-20(15)35)12-5-1-3-7-17(12)34-18;1-22(2)13-7-3-5-9-15(13)31(16-10-6-4-8-14(16)22)21-17(23(27,28)29)18(24)12(11-30)19(25)20(21)26;23-18-14(11-29)19(24)20(25)21(17(18)22(26,27)28)30-15-7-3-1-5-12(15)9-10-13-6-2-4-8-16(13)30;2*20-14-13(19(24,25)26)15(21)17(23)18(16(14)22)27-9-5-1-3-7-11(9)28-12-8-4-2-6-10(12)27/h1-10,34H;3-10H,1-2H3;1-10H;2*1-8H.

What are the key properties of 4-benzo[b][1]benzazepin-11-yl-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenothiazine;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenoxazine;2,3,6-trifluoro-4-(11H-indolo[3,2-b]carbazol-5-yl)-5-(trifluoromethyl)benzonitrile?

4-benzo[b][1]benzazepin-11-yl-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenothiazine;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenoxazine;2,3,6-trifluoro-4-(11H-indolo[3,2-b]carbazol-5-yl)-5-(trifluoromethyl)benzonitrile has a molecular weight of 2142.67 g/mol, XLogP of 35.81, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzo[b][1]benzazepin-11-yl-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;4-(9,9-dimethylacridin-10-yl)-2,3,6-trifluoro-5-(trifluoromethyl)benzonitrile;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenothiazine;10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phenoxazine;2,3,6-trifluoro-4-(11H-indolo[3,2-b]carbazol-5-yl)-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 159028655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).