5-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole

C47H38FN5 — CID 167268454

IUPAC5-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole
SMILESCC1(C)CCC(C)(C)c2c(-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7F)n6)c5cc43)cccc21
InChIInChI=1S/C47H38FN5/c1-46(2)25-26-47(3,4)42-35(46)20-14-24-39(42)52-37-22-12-9-17-30(37)33-27-34-31-18-10-13-23-38(31)53(41(34)28-40(33)52)45-50-43(29-15-6-5-7-16-29)49-44(51-45)32-19-8-11-21-36(32)48/h5-24,27-28H,25-26H2,1-4H3
InChIKeyHOCOGBRVRAAVHY-UHFFFAOYSA-N
MW691.85 g/mol
LogP11.89
Rot. Bonds4

About 5-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole

5-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole (PubChem CID 167268454) has the molecular formula C47H38FN5 and a molecular weight of 691.85 g/mol. Its IUPAC name is 5-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole
PubChem CID167268454
Molecular FormulaC47H38FN5
Molecular Weight691.85 g/mol
Exact Mass691.31
IUPAC Name5-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole
SMILESCC1(C)CCC(C)(C)c2c(-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7F)n6)c5cc43)cccc21
InChIInChI=1S/C47H38FN5/c1-46(2)25-26-47(3,4)42-35(46)20-14-24-39(42)52-37-22-12-9-17-30(37)33-27-34-31-18-10-13-23-38(31)53(41(34)28-40(33)52)45-50-43(29-15-6-5-7-16-29)49-44(51-45)32-19-8-11-21-36(32)48/h5-24,27-28H,25-26H2,1-4H3
InChIKeyHOCOGBRVRAAVHY-UHFFFAOYSA-N
XLogP11.89
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 ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(2-fluorophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole
CID 167269456
5-[4-(3-tert-butylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole
CID 167268436
7-[2-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 167267929
12-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]indolo[2,3-a]carbazole
CID 167267925
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,1,3,3-tetramethyl-2H-inden-4-yl)indolo[2,3-a]carbazole
CID 167267748
7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole
CID 169037005
5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170542497
16-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4(9),10,14,17,19,21,23-nonaene
CID 177086501
5-[2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014487
11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-21,21,23,24-tetramethyl-11,15-diazaoctacyclo[13.13.1.116,20.02,14.04,12.05,10.025,29.024,30]triaconta-1(29),2(14),3,5,7,9,12,16,18,20(30),25,27-dodecaene
CID 167268457
22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene
CID 177087060
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 138623405

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole?
The IUPAC name of 5-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole (CID 167268454) is 5-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole.
What is the SMILES notation for 5-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole?
The canonical SMILES for 5-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole is CC1(C)CCC(C)(C)c2c(-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7F)n6)c5cc43)cccc21.
What is the InChIKey of 5-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole?
The InChIKey is HOCOGBRVRAAVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38FN5/c1-46(2)25-26-47(3,4)42-35(46)20-14-24-39(42)52-37-22-12-9-17-30(37)33-27-34-31-18-10-13-23-38(31)53(41(34)28-40(33)52)45-50-43(29-15-6-5-7-16-29)49-44(51-45)32-19-8-11-21-36(32)48/h5-24,27-28H,25-26H2,1-4H3.
What are the key properties of 5-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole?
5-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole has a molecular weight of 691.85 g/mol, XLogP of 11.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)indolo[2,3-b]carbazole is sourced from PubChem (CID 167268454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).