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

C52H32F3N5 — CID 170268878

IUPAC11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-b]carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c1
InChIInChI=1S/C52H32F3N5/c53-52(54,55)37-20-14-19-35(29-37)41-30-36(51-57-49(33-15-4-1-5-16-33)56-50(58-51)34-17-6-2-7-18-34)27-28-46(41)60-45-26-13-11-24-40(45)43-31-47-42(32-48(43)60)39-23-10-12-25-44(39)59(47)38-21-8-3-9-22-38/h1-32H
InChIKeyYEKCFTISAFCDJG-UHFFFAOYSA-N
MW783.86 g/mol
LogP13.75
Rot. Bonds6

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

11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 170268878) has the molecular formula C52H32F3N5 and a molecular weight of 783.86 g/mol. Its IUPAC name is 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-b]carbazole
PubChem CID170268878
Molecular FormulaC52H32F3N5
Molecular Weight783.86 g/mol
Exact Mass783.26
IUPAC Name11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-b]carbazole
SMILESFC(F)(F)c1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c1
InChIInChI=1S/C52H32F3N5/c53-52(54,55)37-20-14-19-35(29-37)41-30-36(51-57-49(33-15-4-1-5-16-33)56-50(58-51)34-17-6-2-7-18-34)27-28-46(41)60-45-26-13-11-24-40(45)43-31-47-42(32-48(43)60)39-23-10-12-25-44(39)59(47)38-21-8-3-9-22-38/h1-32H
InChIKeyYEKCFTISAFCDJG-UHFFFAOYSA-N
XLogP13.75
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.86
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170268879
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 170267862
2-[3,5-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486398
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 142501854
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 138554386
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 170267943
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 162481748
2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486289
3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 155233083
2,7-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486549
3-[9-[2-carbazol-9-yl-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[2-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;6-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 158333834
5-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(trifluoromethyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 138554841

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-b]carbazole (CID 170268878) is 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-b]carbazole is FC(F)(F)c1cccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)c1.
What is the InChIKey of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-b]carbazole?
The InChIKey is YEKCFTISAFCDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32F3N5/c53-52(54,55)37-20-14-19-35(29-37)41-30-36(51-57-49(33-15-4-1-5-16-33)56-50(58-51)34-17-6-2-7-18-34)27-28-46(41)60-45-26-13-11-24-40(45)43-31-47-42(32-48(43)60)39-23-10-12-25-44(39)59(47)38-21-8-3-9-22-38/h1-32H.
What are the key properties of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-b]carbazole?
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-b]carbazole has a molecular weight of 783.86 g/mol, XLogP of 13.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 170268878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).