3-carbazol-9-yl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;7,7-dimethyl-5-[2,4,6-tris(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;3-phenyl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;10-[2,4,6-tris(trifluoromethyl)phenyl]phenoxazine

C111H59F36N5O — CID 158156961

IUPAC3-carbazol-9-yl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;7,7-dimethyl-5-[2,4,6-tris(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;3-phenyl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;10-[2,4,6-tris(trifluoromethyl)phenyl]phenoxazine
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4C(F)(F)F)c3cc21.FC(F)(F)c1cc(C(F)(F)F)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(C(F)(F)F)c1.FC(F)(F)c1cc(C(F)(F)F)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(C(F)(F)F)c1.FC(F)(F)c1cc(C(F)(F)F)c(N2c3ccccc3Oc3ccccc32)c(C(F)(F)F)c1
InChIInChI=1S/C33H17F9N2.C30H18F9N.C27H14F9N.C21H10F9NO/c34-31(35,36)18-15-24(32(37,38)39)30(25(16-18)33(40,41)42)44-28-12-6-3-9-22(28)23-17-19(13-14-29(23)44)43-26-10-4-1-7-20(26)21-8-2-5-11-27(21)43;1-27(2)20-9-5-3-7-16(20)18-13-19-17-8-4-6-10-24(17)40(25(19)14-21(18)27)26-22(29(34,35)36)11-15(28(31,32)33)12-23(26)30(37,38)39;28-25(29,30)17-13-20(26(31,32)33)24(21(14-17)27(34,35)36)37-22-9-5-4-8-18(22)19-12-16(10-11-23(19)37)15-6-2-1-3-7-15;22-19(23,24)11-9-12(20(25,26)27)18(13(10-11)21(28,29)30)31-14-5-1-3-7-16(14)32-17-8-4-2-6-15(17)31/h1-17H;3-14H,1-2H3;1-14H;1-10H
InChIKeyFVUQBNUTXUQTBS-UHFFFAOYSA-N
MW2162.65 g/mol
LogP38.91
Rot. Bonds6

About 3-carbazol-9-yl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;7,7-dimethyl-5-[2,4,6-tris(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;3-phenyl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;10-[2,4,6-tris(trifluoromethyl)phenyl]phenoxazine

3-carbazol-9-yl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;7,7-dimethyl-5-[2,4,6-tris(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;3-phenyl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;10-[2,4,6-tris(trifluoromethyl)phenyl]phenoxazine (PubChem CID 158156961) has the molecular formula C111H59F36N5O and a molecular weight of 2162.65 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;7,7-dimethyl-5-[2,4,6-tris(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;3-phenyl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;10-[2,4,6-tris(trifluoromethyl)phenyl]phenoxazine.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;7,7-dimethyl-5-[2,4,6-tris(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;3-phenyl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;10-[2,4,6-tris(trifluoromethyl)phenyl]phenoxazine
PubChem CID158156961
Molecular FormulaC111H59F36N5O
Molecular Weight2162.65 g/mol
Exact Mass2161.41
IUPAC Name3-carbazol-9-yl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;7,7-dimethyl-5-[2,4,6-tris(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;3-phenyl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;10-[2,4,6-tris(trifluoromethyl)phenyl]phenoxazine
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4C(F)(F)F)c3cc21.FC(F)(F)c1cc(C(F)(F)F)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(C(F)(F)F)c1.FC(F)(F)c1cc(C(F)(F)F)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(C(F)(F)F)c1.FC(F)(F)c1cc(C(F)(F)F)c(N2c3ccccc3Oc3ccccc32)c(C(F)(F)F)c1
InChIInChI=1S/C33H17F9N2.C30H18F9N.C27H14F9N.C21H10F9NO/c34-31(35,36)18-15-24(32(37,38)39)30(25(16-18)33(40,41)42)44-28-12-6-3-9-22(28)23-17-19(13-14-29(23)44)43-26-10-4-1-7-20(26)21-8-2-5-11-27(21)43;1-27(2)20-9-5-3-7-16(20)18-13-19-17-8-4-6-10-24(17)40(25(19)14-21(18)27)26-22(29(34,35)36)11-15(28(31,32)33)12-23(26)30(37,38)39;28-25(29,30)17-13-20(26(31,32)33)24(21(14-17)27(34,35)36)37-22-9-5-4-8-18(22)19-12-16(10-11-23(19)37)15-6-2-1-3-7-15;22-19(23,24)11-9-12(20(25,26)27)18(13(10-11)21(28,29)30)31-14-5-1-3-7-16(14)32-17-8-4-2-6-15(17)31/h1-17H;3-14H,1-2H3;1-14H;1-10H
InChIKeyFVUQBNUTXUQTBS-UHFFFAOYSA-N
XLogP38.91
TPSA32.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002162.65
LogP ≤ 538.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-carbazol-9-yl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;7,7-dimethyl-5-[2,4,6-tris(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;3-phenyl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;10-[2,4,6-tris(trifluoromethyl)phenyl]phenoxazine with MolForge

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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
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
3,5-Bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,6-bis(2-phenoxazin-10-ylphenyl)-4-phenylbenzonitrile
CID 137368754
3,5-Bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile
CID 137368766
4,5-Bis(10-phenylphenoxazin-3-yl)-3,6-bis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 137368812
2,5-Bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4,6-bis(10-phenylphenoxazin-3-yl)benzene-1,3-dicarbonitrile
CID 137368934
3-Phenoxazin-10-yl-2,4,5,6-tetrakis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 137368979
4,6-Bis(10-phenylphenoxazin-2-yl)-2,5-bis[3-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 137368982
3,4-Bis(10-phenylphenoxazin-2-yl)-5,6-bis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 137368990
4,5-Bis(10-phenylphenoxazin-3-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 137368998
3,5-Bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile
CID 137369017
5-N,10-N-bis(6-methyldibenzofuran-4-yl)-5-N,10-N-bis[4-(trifluoromethyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-5,10-diamine
CID 137416903

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;7,7-dimethyl-5-[2,4,6-tris(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;3-phenyl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;10-[2,4,6-tris(trifluoromethyl)phenyl]phenoxazine?
The IUPAC name of 3-carbazol-9-yl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;7,7-dimethyl-5-[2,4,6-tris(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;3-phenyl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;10-[2,4,6-tris(trifluoromethyl)phenyl]phenoxazine (CID 158156961) is 3-carbazol-9-yl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;7,7-dimethyl-5-[2,4,6-tris(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;3-phenyl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;10-[2,4,6-tris(trifluoromethyl)phenyl]phenoxazine.
What is the SMILES notation for 3-carbazol-9-yl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;7,7-dimethyl-5-[2,4,6-tris(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;3-phenyl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;10-[2,4,6-tris(trifluoromethyl)phenyl]phenoxazine?
The canonical SMILES for 3-carbazol-9-yl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;7,7-dimethyl-5-[2,4,6-tris(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;3-phenyl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;10-[2,4,6-tris(trifluoromethyl)phenyl]phenoxazine is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4c(C(F)(F)F)cc(C(F)(F)F)cc4C(F)(F)F)c3cc21.FC(F)(F)c1cc(C(F)(F)F)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(C(F)(F)F)c1.FC(F)(F)c1cc(C(F)(F)F)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(C(F)(F)F)c1.FC(F)(F)c1cc(C(F)(F)F)c(N2c3ccccc3Oc3ccccc32)c(C(F)(F)F)c1.
What is the InChIKey of 3-carbazol-9-yl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;7,7-dimethyl-5-[2,4,6-tris(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;3-phenyl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;10-[2,4,6-tris(trifluoromethyl)phenyl]phenoxazine?
The InChIKey is FVUQBNUTXUQTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H17F9N2.C30H18F9N.C27H14F9N.C21H10F9NO/c34-31(35,36)18-15-24(32(37,38)39)30(25(16-18)33(40,41)42)44-28-12-6-3-9-22(28)23-17-19(13-14-29(23)44)43-26-10-4-1-7-20(26)21-8-2-5-11-27(21)43;1-27(2)20-9-5-3-7-16(20)18-13-19-17-8-4-6-10-24(17)40(25(19)14-21(18)27)26-22(29(34,35)36)11-15(28(31,32)33)12-23(26)30(37,38)39;28-25(29,30)17-13-20(26(31,32)33)24(21(14-17)27(34,35)36)37-22-9-5-4-8-18(22)19-12-16(10-11-23(19)37)15-6-2-1-3-7-15;22-19(23,24)11-9-12(20(25,26)27)18(13(10-11)21(28,29)30)31-14-5-1-3-7-16(14)32-17-8-4-2-6-15(17)31/h1-17H;3-14H,1-2H3;1-14H;1-10H.
What are the key properties of 3-carbazol-9-yl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;7,7-dimethyl-5-[2,4,6-tris(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;3-phenyl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;10-[2,4,6-tris(trifluoromethyl)phenyl]phenoxazine?
3-carbazol-9-yl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;7,7-dimethyl-5-[2,4,6-tris(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;3-phenyl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;10-[2,4,6-tris(trifluoromethyl)phenyl]phenoxazine has a molecular weight of 2162.65 g/mol, XLogP of 38.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;7,7-dimethyl-5-[2,4,6-tris(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;3-phenyl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;10-[2,4,6-tris(trifluoromethyl)phenyl]phenoxazine is sourced from PubChem (CID 158156961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).