12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)indolo[2,3-a]carbazole

C47H38FN5 — CID 167268004

IUPAC12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)indolo[2,3-a]carbazole
SMILESCC1C(C)(C)c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc(F)cc7)n6)c5c43)cc2C1(C)C
InChIInChI=1S/C47H38FN5/c1-28-46(2,3)37-26-23-32(27-38(37)47(28,4)5)52-39-17-11-9-15-33(39)35-24-25-36-34-16-10-12-18-40(34)53(42(36)41(35)52)45-50-43(29-13-7-6-8-14-29)49-44(51-45)30-19-21-31(48)22-20-30/h6-28H,1-5H3
InChIKeyGITQKIDEELJFMX-UHFFFAOYSA-N
MW691.85 g/mol
LogP11.74
Rot. Bonds4

About 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)indolo[2,3-a]carbazole

12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)indolo[2,3-a]carbazole (PubChem CID 167268004) has the molecular formula C47H38FN5 and a molecular weight of 691.85 g/mol. Its IUPAC name is 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)indolo[2,3-a]carbazole
PubChem CID167268004
Molecular FormulaC47H38FN5
Molecular Weight691.85 g/mol
Exact Mass691.31
IUPAC Name12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)indolo[2,3-a]carbazole
SMILESCC1C(C)(C)c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc(F)cc7)n6)c5c43)cc2C1(C)C
InChIInChI=1S/C47H38FN5/c1-28-46(2,3)37-26-23-32(27-38(37)47(28,4)5)52-39-17-11-9-15-33(39)35-24-25-36-34-16-10-12-18-40(34)53(42(36)41(35)52)45-50-43(29-13-7-6-8-14-29)49-44(51-45)30-19-21-31(48)22-20-30/h6-28H,1-5H3
InChIKeyGITQKIDEELJFMX-UHFFFAOYSA-N
XLogP11.74
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.85
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)indolo[2,3-a]carbazole with MolForge

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Related Compounds

11-[3-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167268838
11-(1,1,2,2,3,3-hexamethylinden-5-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167268585
12-[4-[4-(4-fluorophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 144596071
3-[4-(4-fluorophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17,17,20,20-tetramethyl-24-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene
CID 177086962
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole
CID 167268040
3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729477
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-11-phenylindolo[2,3-a]carbazole
CID 168729522
3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729227
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-12-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 168729405
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 169037222

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)indolo[2,3-a]carbazole?
The IUPAC name of 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)indolo[2,3-a]carbazole (CID 167268004) is 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)indolo[2,3-a]carbazole is CC1C(C)(C)c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc(F)cc7)n6)c5c43)cc2C1(C)C.
What is the InChIKey of 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)indolo[2,3-a]carbazole?
The InChIKey is GITQKIDEELJFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38FN5/c1-28-46(2,3)37-26-23-32(27-38(37)47(28,4)5)52-39-17-11-9-15-33(39)35-24-25-36-34-16-10-12-18-40(34)53(42(36)41(35)52)45-50-43(29-13-7-6-8-14-29)49-44(51-45)30-19-21-31(48)22-20-30/h6-28H,1-5H3.
What are the key properties of 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)indolo[2,3-a]carbazole?
12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)indolo[2,3-a]carbazole has a molecular weight of 691.85 g/mol, XLogP of 11.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 167268004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).