3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

C53H30F6N4O — CID 138599611

IUPAC3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4oc5ccccc5c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C(F)(F)F)c1
InChIInChI=1S/C53H30F6N4O/c54-52(55,56)35-24-25-36(42(30-35)53(57,58)59)33-22-26-44-40(28-33)38-16-7-9-19-43(38)63(44)45-27-23-34(37-18-11-21-47-48(37)39-17-8-10-20-46(39)64-47)29-41(45)51-61-49(31-12-3-1-4-13-31)60-50(62-51)32-14-5-2-6-15-32/h1-30H
InChIKeyRVKREODGMDDZPO-UHFFFAOYSA-N
MW852.84 g/mol
LogP15.24
Rot. Bonds6

About 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 138599611) has the molecular formula C53H30F6N4O and a molecular weight of 852.84 g/mol. Its IUPAC name is 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID138599611
Molecular FormulaC53H30F6N4O
Molecular Weight852.84 g/mol
Exact Mass852.23
IUPAC Name3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4oc5ccccc5c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C(F)(F)F)c1
InChIInChI=1S/C53H30F6N4O/c54-52(55,56)35-24-25-36(42(30-35)53(57,58)59)33-22-26-44-40(28-33)38-16-7-9-19-43(38)63(44)45-27-23-34(37-18-11-21-47-48(37)39-17-8-10-20-46(39)64-47)29-41(45)51-61-49(31-12-3-1-4-13-31)60-50(62-51)32-14-5-2-6-15-32/h1-30H
InChIKeyRVKREODGMDDZPO-UHFFFAOYSA-N
XLogP15.24
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.84
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-([1,1'-biphenyl]-4-yl)-3'-(9H-carbazol-9-yl)-N-(4-(dibenzo[b,d]furan-4-yl)phenyl)-[1,1'-biphenyl]-4-amine
CID 118952247
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-4-phenylaniline
CID 68230151
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-4-phenylaniline
CID 68230295
7-(4-Dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole
CID 71109047
12-[4-(4-Dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole
CID 71291224
19-[7-(2,3,4,5,6-Pentafluorophenyl)dibenzofuran-3-yl]-3-phenyl-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
CID 87414569
9-[8-(6-Carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole
CID 89433789
9-[6-(8-Carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole
CID 89433790
N-(4-dibenzofuran-4-ylphenyl)-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 89531451
7-[4-[4-(4-Fluorophenyl)-6-phenylpyrimidin-2-yl]phenyl]-10-naphtho[2,1-b][1]benzofuran-5-ylbenzo[c]carbazole
CID 89590550
4-[4-[4-(7-Fluorodibenzofuran-2-yl)phenyl]phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 89991446
4-[3,5-Di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 89991528

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 138599611) is 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is FC(F)(F)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4oc5ccccc5c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C(F)(F)F)c1.
What is the InChIKey of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is RVKREODGMDDZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30F6N4O/c54-52(55,56)35-24-25-36(42(30-35)53(57,58)59)33-22-26-44-40(28-33)38-16-7-9-19-43(38)63(44)45-27-23-34(37-18-11-21-47-48(37)39-17-8-10-20-46(39)64-47)29-41(45)51-61-49(31-12-3-1-4-13-31)60-50(62-51)32-14-5-2-6-15-32/h1-30H.
What are the key properties of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 852.84 g/mol, XLogP of 15.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 138599611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).