9-[2,6-bis(2,6-difluorophenyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;5-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile

C127H72F19N5O — CID 157283390

IUPAC9-[2,6-bis(2,6-difluorophenyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;5-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4c(-c5c(F)cccc5F)cccc4C(F)(F)F)c3cc21.Fc1cccc(F)c1-c1cccc(-c2c(F)cccc2F)c1-n1c2ccccc2c2ccccc21.Fc1cccc(F)c1-c1cccc(C(F)(F)F)c1-n1c2ccccc2c2ccccc21.N#Cc1cccc(-c2c(F)c(F)c(F)c(F)c2F)c1N1c2ccccc2C2(c3ccccc3Oc3ccccc32)c2ccccc21
InChIInChI=1S/C38H19F5N2O.C34H22F5N.C30H17F4N.C25H14F5N/c39-32-31(33(40)35(42)36(43)34(32)41)22-11-9-10-21(20-44)37(22)45-27-16-5-1-12-23(27)38(24-13-2-6-17-28(24)45)25-14-3-7-18-29(25)46-30-19-8-4-15-26(30)38;1-33(2)24-12-5-3-9-19(24)22-17-23-20-10-4-6-16-29(20)40(30(23)18-26(22)33)32-21(11-7-13-25(32)34(37,38)39)31-27(35)14-8-15-28(31)36;31-22-12-6-13-23(32)28(22)20-10-5-11-21(29-24(33)14-7-15-25(29)34)30(20)35-26-16-3-1-8-18(26)19-9-2-4-17-27(19)35;26-19-11-6-12-20(27)23(19)17-9-5-10-18(25(28,29)30)24(17)31-21-13-3-1-7-15(21)16-8-2-4-14-22(16)31/h1-19H;3-18H,1-2H3;1-17H;1-14H
InChIKeyAZYBQGFEHAYNFY-UHFFFAOYSA-N
MW2044.97 g/mol
LogP36.67
Rot. Bonds9

About 9-[2,6-bis(2,6-difluorophenyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;5-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile

9-[2,6-bis(2,6-difluorophenyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;5-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile (PubChem CID 157283390) has the molecular formula C127H72F19N5O and a molecular weight of 2044.97 g/mol. Its IUPAC name is 9-[2,6-bis(2,6-difluorophenyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;5-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile.

Molecular Properties

Compound Name9-[2,6-bis(2,6-difluorophenyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;5-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile
PubChem CID157283390
Molecular FormulaC127H72F19N5O
Molecular Weight2044.97 g/mol
Exact Mass2043.54
IUPAC Name9-[2,6-bis(2,6-difluorophenyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;5-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4c(-c5c(F)cccc5F)cccc4C(F)(F)F)c3cc21.Fc1cccc(F)c1-c1cccc(-c2c(F)cccc2F)c1-n1c2ccccc2c2ccccc21.Fc1cccc(F)c1-c1cccc(C(F)(F)F)c1-n1c2ccccc2c2ccccc21.N#Cc1cccc(-c2c(F)c(F)c(F)c(F)c2F)c1N1c2ccccc2C2(c3ccccc3Oc3ccccc32)c2ccccc21
InChIInChI=1S/C38H19F5N2O.C34H22F5N.C30H17F4N.C25H14F5N/c39-32-31(33(40)35(42)36(43)34(32)41)22-11-9-10-21(20-44)37(22)45-27-16-5-1-12-23(27)38(24-13-2-6-17-28(24)45)25-14-3-7-18-29(25)46-30-19-8-4-15-26(30)38;1-33(2)24-12-5-3-9-19(24)22-17-23-20-10-4-6-16-29(20)40(30(23)18-26(22)33)32-21(11-7-13-25(32)34(37,38)39)31-27(35)14-8-15-28(31)36;31-22-12-6-13-23(32)28(22)20-10-5-11-21(29-24(33)14-7-15-25(29)34)30(20)35-26-16-3-1-8-18(26)19-9-2-4-17-27(19)35;26-19-11-6-12-20(27)23(19)17-9-5-10-18(25(28,29)30)24(17)31-21-13-3-1-7-15(21)16-8-2-4-14-22(16)31/h1-19H;3-18H,1-2H3;1-17H;1-14H
InChIKeyAZYBQGFEHAYNFY-UHFFFAOYSA-N
XLogP36.67
TPSA51.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002044.97
LogP ≤ 536.67
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 9-[2,6-bis(2,6-difluorophenyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;5-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[6-[6-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-[4-[4-(1,2,2-trifluoroethenoxy)phenyl]phenyl]fluoren-2-amine
CID 90164118
N,N-bis(4-fluorophenyl)-18-methylspiro[25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(27),2,4,6,9,11,13,16,19,21,23-undecaene-15,9'-fluorene]-2'-amine
CID 90270032
14,14-Dimethyl-10-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 118927713
6-(9,9-Diphenylxanthen-3-yl)-9-(4-fluorophenyl)carbazole-3-carbonitrile
CID 121296794
6-(9,9-Dimethylxanthen-2-yl)-9-[4-(trifluoromethyl)phenyl]carbazole-3-carbonitrile
CID 121297495
6-(9,9-Dimethylxanthen-2-yl)-9-(4-fluorophenyl)carbazole-3-carbonitrile
CID 121297498
9-(4-fluorophenyl)-6-[9-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-9-phenylxanthen-2-yl]carbazole-3-carbonitrile
CID 121297504
6-(9,9-Dimethylxanthen-3-yl)-9-[4-(trifluoromethyl)phenyl]carbazole-3-carbonitrile
CID 121297511
5-(9,9-dimethylfluoren-2-yl)-N-(4-fluorophenyl)-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)benzo[b]carbazol-2-amine
CID 121357331
N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-amine
CID 121357412
5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile
CID 123578963
N-(9,9-dimethylxanthen-3-yl)-N-(2,3,4,5,6-pentafluorophenyl)-7-phenylbenzo[c]carbazol-10-amine
CID 126681147

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(2,6-difluorophenyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;5-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile?
The IUPAC name of 9-[2,6-bis(2,6-difluorophenyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;5-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile (CID 157283390) is 9-[2,6-bis(2,6-difluorophenyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;5-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile.
What is the SMILES notation for 9-[2,6-bis(2,6-difluorophenyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;5-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile?
The canonical SMILES for 9-[2,6-bis(2,6-difluorophenyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;5-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4c(-c5c(F)cccc5F)cccc4C(F)(F)F)c3cc21.Fc1cccc(F)c1-c1cccc(-c2c(F)cccc2F)c1-n1c2ccccc2c2ccccc21.Fc1cccc(F)c1-c1cccc(C(F)(F)F)c1-n1c2ccccc2c2ccccc21.N#Cc1cccc(-c2c(F)c(F)c(F)c(F)c2F)c1N1c2ccccc2C2(c3ccccc3Oc3ccccc32)c2ccccc21.
What is the InChIKey of 9-[2,6-bis(2,6-difluorophenyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;5-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile?
The InChIKey is AZYBQGFEHAYNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H19F5N2O.C34H22F5N.C30H17F4N.C25H14F5N/c39-32-31(33(40)35(42)36(43)34(32)41)22-11-9-10-21(20-44)37(22)45-27-16-5-1-12-23(27)38(24-13-2-6-17-28(24)45)25-14-3-7-18-29(25)46-30-19-8-4-15-26(30)38;1-33(2)24-12-5-3-9-19(24)22-17-23-20-10-4-6-16-29(20)40(30(23)18-26(22)33)32-21(11-7-13-25(32)34(37,38)39)31-27(35)14-8-15-28(31)36;31-22-12-6-13-23(32)28(22)20-10-5-11-21(29-24(33)14-7-15-25(29)34)30(20)35-26-16-3-1-8-18(26)19-9-2-4-17-27(19)35;26-19-11-6-12-20(27)23(19)17-9-5-10-18(25(28,29)30)24(17)31-21-13-3-1-7-15(21)16-8-2-4-14-22(16)31/h1-19H;3-18H,1-2H3;1-17H;1-14H.
What are the key properties of 9-[2,6-bis(2,6-difluorophenyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;5-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile?
9-[2,6-bis(2,6-difluorophenyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;5-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile has a molecular weight of 2044.97 g/mol, XLogP of 36.67, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis(2,6-difluorophenyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;5-[2-(2,6-difluorophenyl)-6-(trifluoromethyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile is sourced from PubChem (CID 157283390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).