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

C46H36FN5 — CID 167268026

IUPAC12-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,3,3-tetramethyl-2H-inden-5-yl)indolo[2,3-a]carbazole
SMILESCC1(C)CC(C)(C)c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc(F)c7)n6)c5c43)ccc21
InChIInChI=1S/C46H36FN5/c1-45(2)27-46(3,4)37-26-31(21-24-36(37)45)51-38-19-10-8-17-32(38)34-22-23-35-33-18-9-11-20-39(33)52(41(35)40(34)51)44-49-42(28-13-6-5-7-14-28)48-43(50-44)29-15-12-16-30(47)25-29/h5-26H,27H2,1-4H3
InChIKeyULLGDADFXLRJCL-UHFFFAOYSA-N
MW677.83 g/mol
LogP11.50
Rot. Bonds4

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

12-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,3,3-tetramethyl-2H-inden-5-yl)indolo[2,3-a]carbazole (PubChem CID 167268026) has the molecular formula C46H36FN5 and a molecular weight of 677.83 g/mol. Its IUPAC name is 12-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,3,3-tetramethyl-2H-inden-5-yl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,3,3-tetramethyl-2H-inden-5-yl)indolo[2,3-a]carbazole
PubChem CID167268026
Molecular FormulaC46H36FN5
Molecular Weight677.83 g/mol
Exact Mass677.30
IUPAC Name12-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,3,3-tetramethyl-2H-inden-5-yl)indolo[2,3-a]carbazole
SMILESCC1(C)CC(C)(C)c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc(F)c7)n6)c5c43)ccc21
InChIInChI=1S/C46H36FN5/c1-45(2)27-46(3,4)37-26-31(21-24-36(37)45)51-38-19-10-8-17-32(38)34-22-23-35-33-18-9-11-20-39(33)52(41(35)40(34)51)44-49-42(28-13-6-5-7-14-28)48-43(50-44)29-15-12-16-30(47)25-29/h5-26H,27H2,1-4H3
InChIKeyULLGDADFXLRJCL-UHFFFAOYSA-N
XLogP11.50
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.83
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 12-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,3,3-tetramethyl-2H-inden-5-yl)indolo[2,3-a]carbazole?
The IUPAC name of 12-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,3,3-tetramethyl-2H-inden-5-yl)indolo[2,3-a]carbazole (CID 167268026) is 12-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,3,3-tetramethyl-2H-inden-5-yl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,3,3-tetramethyl-2H-inden-5-yl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,3,3-tetramethyl-2H-inden-5-yl)indolo[2,3-a]carbazole is CC1(C)CC(C)(C)c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7cccc(F)c7)n6)c5c43)ccc21.
What is the InChIKey of 12-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,3,3-tetramethyl-2H-inden-5-yl)indolo[2,3-a]carbazole?
The InChIKey is ULLGDADFXLRJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36FN5/c1-45(2)27-46(3,4)37-26-31(21-24-36(37)45)51-38-19-10-8-17-32(38)34-22-23-35-33-18-9-11-20-39(33)52(41(35)40(34)51)44-49-42(28-13-6-5-7-14-28)48-43(50-44)29-15-12-16-30(47)25-29/h5-26H,27H2,1-4H3.
What are the key properties of 12-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,3,3-tetramethyl-2H-inden-5-yl)indolo[2,3-a]carbazole?
12-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,3,3-tetramethyl-2H-inden-5-yl)indolo[2,3-a]carbazole has a molecular weight of 677.83 g/mol, XLogP of 11.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(3-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(1,1,3,3-tetramethyl-2H-inden-5-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 167268026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).