9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-indol-1-ylcarbazole

C43H25F6N5 — CID 146933083

IUPAC9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-indol-1-ylcarbazole
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccc(-n4c5ccccc5c5cc(-n6ccc7ccccc76)ccc54)c3)n2)cc1
InChIInChI=1S/C43H25F6N5/c44-42(45,46)30-16-12-27(13-17-30)39-50-40(28-14-18-31(19-15-28)43(47,48)49)52-41(51-39)29-7-5-8-33(24-29)54-37-11-4-2-9-34(37)35-25-32(20-21-38(35)54)53-23-22-26-6-1-3-10-36(26)53/h1-25H
InChIKeyAFKDDALRJVUXHF-UHFFFAOYSA-N
MW725.70 g/mol
LogP11.95
Rot. Bonds5

About 9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-indol-1-ylcarbazole

9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-indol-1-ylcarbazole (PubChem CID 146933083) has the molecular formula C43H25F6N5 and a molecular weight of 725.70 g/mol. Its IUPAC name is 9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-indol-1-ylcarbazole.

Molecular Properties

Compound Name9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-indol-1-ylcarbazole
PubChem CID146933083
Molecular FormulaC43H25F6N5
Molecular Weight725.70 g/mol
Exact Mass725.20
IUPAC Name9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-indol-1-ylcarbazole
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccc(-n4c5ccccc5c5cc(-n6ccc7ccccc76)ccc54)c3)n2)cc1
InChIInChI=1S/C43H25F6N5/c44-42(45,46)30-16-12-27(13-17-30)39-50-40(28-14-18-31(19-15-28)43(47,48)49)52-41(51-39)29-7-5-8-33(24-29)54-37-11-4-2-9-34(37)35-25-32(20-21-38(35)54)53-23-22-26-6-1-3-10-36(26)53/h1-25H
InChIKeyAFKDDALRJVUXHF-UHFFFAOYSA-N
XLogP11.95
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.70
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]naphthalen-1-yl]-3-(3-indol-1-ylphenyl)carbazole
CID 149231132
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 90211376
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole
CID 156509710
3-carbazol-9-yl-9-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146828085
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 158365808
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole;9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-5-(trifluoromethyl)phenyl]-3-phenylcarbazole
CID 161243384
9-[4-(4-tert-butylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylcarbazole
CID 118053607
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 90130563
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223606
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-indol-1-ylcarbazole?
The IUPAC name of 9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-indol-1-ylcarbazole (CID 146933083) is 9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-indol-1-ylcarbazole.
What is the SMILES notation for 9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-indol-1-ylcarbazole?
The canonical SMILES for 9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-indol-1-ylcarbazole is FC(F)(F)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccc(-n4c5ccccc5c5cc(-n6ccc7ccccc76)ccc54)c3)n2)cc1.
What is the InChIKey of 9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-indol-1-ylcarbazole?
The InChIKey is AFKDDALRJVUXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25F6N5/c44-42(45,46)30-16-12-27(13-17-30)39-50-40(28-14-18-31(19-15-28)43(47,48)49)52-41(51-39)29-7-5-8-33(24-29)54-37-11-4-2-9-34(37)35-25-32(20-21-38(35)54)53-23-22-26-6-1-3-10-36(26)53/h1-25H.
What are the key properties of 9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-indol-1-ylcarbazole?
9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-indol-1-ylcarbazole has a molecular weight of 725.70 g/mol, XLogP of 11.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-indol-1-ylcarbazole is sourced from PubChem (CID 146933083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).