5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11,11-dimethylindeno[1,2-b]carbazole

C49H31F3N4O — CID 155159933

IUPAC5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1c(C(F)(F)F)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2oc3ccccc3c12
InChIInChI=1S/C49H31F3N4O/c1-48(2)36-22-12-9-19-30(36)33-27-40-34(25-37(33)48)31-20-10-13-23-39(31)56(40)43-38(49(50,51)52)26-35(44-42(43)32-21-11-14-24-41(32)57-44)47-54-45(28-15-5-3-6-16-28)53-46(55-47)29-17-7-4-8-18-29/h3-27H,1-2H3
InChIKeySXTPZODVRDKWAN-UHFFFAOYSA-N
MW748.81 g/mol
LogP13.19
Rot. Bonds4

About 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11,11-dimethylindeno[1,2-b]carbazole

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11,11-dimethylindeno[1,2-b]carbazole (PubChem CID 155159933) has the molecular formula C49H31F3N4O and a molecular weight of 748.81 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11,11-dimethylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11,11-dimethylindeno[1,2-b]carbazole
PubChem CID155159933
Molecular FormulaC49H31F3N4O
Molecular Weight748.81 g/mol
Exact Mass748.24
IUPAC Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1c(C(F)(F)F)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2oc3ccccc3c12
InChIInChI=1S/C49H31F3N4O/c1-48(2)36-22-12-9-19-30(36)33-27-40-34(25-37(33)48)31-20-10-13-23-39(31)56(40)43-38(49(50,51)52)26-35(44-42(43)32-21-11-14-24-41(32)57-44)47-54-45(28-15-5-3-6-16-28)53-46(55-47)29-17-7-4-8-18-29/h3-27H,1-2H3
InChIKeySXTPZODVRDKWAN-UHFFFAOYSA-N
XLogP13.19
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.81
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11,11-dimethylindeno[1,2-b]carbazole 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

26-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-15-phenyl-18-oxa-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,19,21,23,25-dodecaene
CID 163596860
5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyldibenzofuran-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 155158591
5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;ethane
CID 145017062
11,11-dimethyl-5-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 169014548
11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole
CID 146338085
2-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole
CID 155160012
2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 162481731
4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carbonitrile
CID 155159726
7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 169014370
5-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 169014938
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235
5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 155159192

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11,11-dimethylindeno[1,2-b]carbazole?
The IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11,11-dimethylindeno[1,2-b]carbazole (CID 155159933) is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11,11-dimethylindeno[1,2-b]carbazole.
What is the SMILES notation for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11,11-dimethylindeno[1,2-b]carbazole?
The canonical SMILES for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11,11-dimethylindeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1c(C(F)(F)F)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2oc3ccccc3c12.
What is the InChIKey of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11,11-dimethylindeno[1,2-b]carbazole?
The InChIKey is SXTPZODVRDKWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31F3N4O/c1-48(2)36-22-12-9-19-30(36)33-27-40-34(25-37(33)48)31-20-10-13-23-39(31)56(40)43-38(49(50,51)52)26-35(44-42(43)32-21-11-14-24-41(32)57-44)47-54-45(28-15-5-3-6-16-28)53-46(55-47)29-17-7-4-8-18-29/h3-27H,1-2H3.
What are the key properties of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11,11-dimethylindeno[1,2-b]carbazole?
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11,11-dimethylindeno[1,2-b]carbazole has a molecular weight of 748.81 g/mol, XLogP of 13.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11,11-dimethylindeno[1,2-b]carbazole is sourced from PubChem (CID 155159933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).