2-(9,9-dimethylacridin-10-yl)-3-methyl-5-(2,3,4,5,6-pentafluorophenyl)benzonitrile;9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]phenoxazine;9-[4-(2,3,4,5,6-pentafluorophenyl)-2,6-bis(trifluoromethyl)phenyl]carbazole

C107H58F29N5O — CID 158662741

IUPAC2-(9,9-dimethylacridin-10-yl)-3-methyl-5-(2,3,4,5,6-pentafluorophenyl)benzonitrile;9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]phenoxazine;9-[4-(2,3,4,5,6-pentafluorophenyl)-2,6-bis(trifluoromethyl)phenyl]carbazole
SMILESCc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C#N)c1N1c2ccccc2C(C)(C)c2ccccc21.Cc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C(F)(F)F)c1N1c2ccccc2Oc2ccccc21.Cc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C)c1-n1c2ccccc2c2ccccc21.Fc1c(F)c(F)c(-c2cc(C(F)(F)F)c(-n3c4ccccc4c4ccccc43)c(C(F)(F)F)c2)c(F)c1F
InChIInChI=1S/C29H19F5N2.C26H10F11N.C26H13F8NO.C26H16F5N/c1-15-12-16(22-23(30)25(32)27(34)26(33)24(22)31)13-17(14-35)28(15)36-20-10-6-4-8-18(20)29(2,3)19-9-5-7-11-21(19)36;27-19-18(20(28)22(30)23(31)21(19)29)11-9-14(25(32,33)34)24(15(10-11)26(35,36)37)38-16-7-3-1-5-12(16)13-6-2-4-8-17(13)38;1-12-10-13(19-20(27)22(29)24(31)23(30)21(19)28)11-14(26(32,33)34)25(12)35-15-6-2-4-8-17(15)36-18-9-5-3-7-16(18)35;1-13-11-15(20-21(27)23(29)25(31)24(30)22(20)28)12-14(2)26(13)32-18-9-5-3-7-16(18)17-8-4-6-10-19(17)32/h4-13H,1-3H3;1-10H;2-11H,1H3;3-12H,1-2H3
InChIKeyICYPOFPYYCLZJX-UHFFFAOYSA-N
MW1980.62 g/mol
LogP34.24
Rot. Bonds8

About 2-(9,9-dimethylacridin-10-yl)-3-methyl-5-(2,3,4,5,6-pentafluorophenyl)benzonitrile;9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]phenoxazine;9-[4-(2,3,4,5,6-pentafluorophenyl)-2,6-bis(trifluoromethyl)phenyl]carbazole

2-(9,9-dimethylacridin-10-yl)-3-methyl-5-(2,3,4,5,6-pentafluorophenyl)benzonitrile;9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]phenoxazine;9-[4-(2,3,4,5,6-pentafluorophenyl)-2,6-bis(trifluoromethyl)phenyl]carbazole (PubChem CID 158662741) has the molecular formula C107H58F29N5O and a molecular weight of 1980.62 g/mol. Its IUPAC name is 2-(9,9-dimethylacridin-10-yl)-3-methyl-5-(2,3,4,5,6-pentafluorophenyl)benzonitrile;9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]phenoxazine;9-[4-(2,3,4,5,6-pentafluorophenyl)-2,6-bis(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name2-(9,9-dimethylacridin-10-yl)-3-methyl-5-(2,3,4,5,6-pentafluorophenyl)benzonitrile;9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]phenoxazine;9-[4-(2,3,4,5,6-pentafluorophenyl)-2,6-bis(trifluoromethyl)phenyl]carbazole
PubChem CID158662741
Molecular FormulaC107H58F29N5O
Molecular Weight1980.62 g/mol
Exact Mass1979.42
IUPAC Name2-(9,9-dimethylacridin-10-yl)-3-methyl-5-(2,3,4,5,6-pentafluorophenyl)benzonitrile;9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]phenoxazine;9-[4-(2,3,4,5,6-pentafluorophenyl)-2,6-bis(trifluoromethyl)phenyl]carbazole
SMILESCc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C#N)c1N1c2ccccc2C(C)(C)c2ccccc21.Cc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C(F)(F)F)c1N1c2ccccc2Oc2ccccc21.Cc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C)c1-n1c2ccccc2c2ccccc21.Fc1c(F)c(F)c(-c2cc(C(F)(F)F)c(-n3c4ccccc4c4ccccc43)c(C(F)(F)F)c2)c(F)c1F
InChIInChI=1S/C29H19F5N2.C26H10F11N.C26H13F8NO.C26H16F5N/c1-15-12-16(22-23(30)25(32)27(34)26(33)24(22)31)13-17(14-35)28(15)36-20-10-6-4-8-18(20)29(2,3)19-9-5-7-11-21(19)36;27-19-18(20(28)22(30)23(31)21(19)29)11-9-14(25(32,33)34)24(15(10-11)26(35,36)37)38-16-7-3-1-5-12(16)13-6-2-4-8-17(13)38;1-12-10-13(19-20(27)22(29)24(31)23(30)21(19)28)11-14(26(32,33)34)25(12)35-15-6-2-4-8-17(15)36-18-9-5-3-7-16(18)35;1-13-11-15(20-21(27)23(29)25(31)24(30)22(20)28)12-14(2)26(13)32-18-9-5-3-7-16(18)17-8-4-6-10-19(17)32/h4-13H,1-3H3;1-10H;2-11H,1H3;3-12H,1-2H3
InChIKeyICYPOFPYYCLZJX-UHFFFAOYSA-N
XLogP34.24
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001980.62
LogP ≤ 534.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(9,9-dimethylacridin-10-yl)-3-methyl-5-(2,3,4,5,6-pentafluorophenyl)benzonitrile;9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]phenoxazine;9-[4-(2,3,4,5,6-pentafluorophenyl)-2,6-bis(trifluoromethyl)phenyl]carbazole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylacridin-10-yl)-3-methyl-5-(2,3,4,5,6-pentafluorophenyl)benzonitrile;9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]phenoxazine;9-[4-(2,3,4,5,6-pentafluorophenyl)-2,6-bis(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 2-(9,9-dimethylacridin-10-yl)-3-methyl-5-(2,3,4,5,6-pentafluorophenyl)benzonitrile;9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]phenoxazine;9-[4-(2,3,4,5,6-pentafluorophenyl)-2,6-bis(trifluoromethyl)phenyl]carbazole (CID 158662741) is 2-(9,9-dimethylacridin-10-yl)-3-methyl-5-(2,3,4,5,6-pentafluorophenyl)benzonitrile;9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]phenoxazine;9-[4-(2,3,4,5,6-pentafluorophenyl)-2,6-bis(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 2-(9,9-dimethylacridin-10-yl)-3-methyl-5-(2,3,4,5,6-pentafluorophenyl)benzonitrile;9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]phenoxazine;9-[4-(2,3,4,5,6-pentafluorophenyl)-2,6-bis(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 2-(9,9-dimethylacridin-10-yl)-3-methyl-5-(2,3,4,5,6-pentafluorophenyl)benzonitrile;9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]phenoxazine;9-[4-(2,3,4,5,6-pentafluorophenyl)-2,6-bis(trifluoromethyl)phenyl]carbazole is Cc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C#N)c1N1c2ccccc2C(C)(C)c2ccccc21.Cc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C(F)(F)F)c1N1c2ccccc2Oc2ccccc21.Cc1cc(-c2c(F)c(F)c(F)c(F)c2F)cc(C)c1-n1c2ccccc2c2ccccc21.Fc1c(F)c(F)c(-c2cc(C(F)(F)F)c(-n3c4ccccc4c4ccccc43)c(C(F)(F)F)c2)c(F)c1F.
What is the InChIKey of 2-(9,9-dimethylacridin-10-yl)-3-methyl-5-(2,3,4,5,6-pentafluorophenyl)benzonitrile;9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]phenoxazine;9-[4-(2,3,4,5,6-pentafluorophenyl)-2,6-bis(trifluoromethyl)phenyl]carbazole?
The InChIKey is ICYPOFPYYCLZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19F5N2.C26H10F11N.C26H13F8NO.C26H16F5N/c1-15-12-16(22-23(30)25(32)27(34)26(33)24(22)31)13-17(14-35)28(15)36-20-10-6-4-8-18(20)29(2,3)19-9-5-7-11-21(19)36;27-19-18(20(28)22(30)23(31)21(19)29)11-9-14(25(32,33)34)24(15(10-11)26(35,36)37)38-16-7-3-1-5-12(16)13-6-2-4-8-17(13)38;1-12-10-13(19-20(27)22(29)24(31)23(30)21(19)28)11-14(26(32,33)34)25(12)35-15-6-2-4-8-17(15)36-18-9-5-3-7-16(18)35;1-13-11-15(20-21(27)23(29)25(31)24(30)22(20)28)12-14(2)26(13)32-18-9-5-3-7-16(18)17-8-4-6-10-19(17)32/h4-13H,1-3H3;1-10H;2-11H,1H3;3-12H,1-2H3.
What are the key properties of 2-(9,9-dimethylacridin-10-yl)-3-methyl-5-(2,3,4,5,6-pentafluorophenyl)benzonitrile;9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]phenoxazine;9-[4-(2,3,4,5,6-pentafluorophenyl)-2,6-bis(trifluoromethyl)phenyl]carbazole?
2-(9,9-dimethylacridin-10-yl)-3-methyl-5-(2,3,4,5,6-pentafluorophenyl)benzonitrile;9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]phenoxazine;9-[4-(2,3,4,5,6-pentafluorophenyl)-2,6-bis(trifluoromethyl)phenyl]carbazole has a molecular weight of 1980.62 g/mol, XLogP of 34.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylacridin-10-yl)-3-methyl-5-(2,3,4,5,6-pentafluorophenyl)benzonitrile;9-[2,6-dimethyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]phenoxazine;9-[4-(2,3,4,5,6-pentafluorophenyl)-2,6-bis(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 158662741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).