12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole

C53H42FN5 — CID 167267911

IUPAC12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole
SMILESCC1(C)CCC(C)(C)c2cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccc(F)cc8)n7)c6c54)cc3)ccc21
InChIInChI=1S/C53H42FN5/c1-52(2)30-31-53(3,4)44-32-36(22-29-43(44)52)33-20-25-38(26-21-33)58-45-16-10-8-14-39(45)41-27-28-42-40-15-9-11-17-46(40)59(48(42)47(41)58)51-56-49(34-12-6-5-7-13-34)55-50(57-51)35-18-23-37(54)24-19-35/h5-29,32H,30-31H2,1-4H3
InChIKeyIZTGTTBACNGWBF-UHFFFAOYSA-N
MW767.95 g/mol
LogP13.55
Rot. Bonds5

About 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole

12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole (PubChem CID 167267911) has the molecular formula C53H42FN5 and a molecular weight of 767.95 g/mol. Its IUPAC name is 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole
PubChem CID167267911
Molecular FormulaC53H42FN5
Molecular Weight767.95 g/mol
Exact Mass767.34
IUPAC Name12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole
SMILESCC1(C)CCC(C)(C)c2cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccc(F)cc8)n7)c6c54)cc3)ccc21
InChIInChI=1S/C53H42FN5/c1-52(2)30-31-53(3,4)44-32-36(22-29-43(44)52)33-20-25-38(26-21-33)58-45-16-10-8-14-39(45)41-27-28-42-40-15-9-11-17-46(40)59(48(42)47(41)58)51-56-49(34-12-6-5-7-13-34)55-50(57-51)35-18-23-37(54)24-19-35/h5-29,32H,30-31H2,1-4H3
InChIKeyIZTGTTBACNGWBF-UHFFFAOYSA-N
XLogP13.55
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.95
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole with MolForge

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Related Compounds

1-(4-Fluorophenyl)-2-methyl-8-naphthalen-2-ylimidazo[4,5-c]quinoline
CID 168289126
Dextranase
CID 167312536
1,3-diethyl-2-[(E,3Z)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzo[f]benzimidazol-3-ium chloride
CID 15154443
1,3-diethyl-2-[(E,3Z)-3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]benzo[f]benzimidazol-3-ium chloride
CID 15154444
1-[[4-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
CID 25147556
16-ethyl-12-methyl-14-[(2Z)-2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-11-aza-16-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,15-hexaene iodide
CID 44459023
3-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]-2-[4-(trifluoromethyl)phenyl]-1H-indole
CID 122191973
2-Methyl-1,3-bis(naphthalen-2-ylmethyl)benzimidazol-3-ium bromide
CID 134133867
2-Ethyl-1,3-bis(naphthalen-2-ylmethyl)benzimidazol-3-ium bromide
CID 134134249
2-Butyl-1,3-bis(naphthalen-2-ylmethyl)benzimidazol-3-ium bromide
CID 134135179
1,3-Bis(naphthalen-2-ylmethyl)-2-propylbenzimidazol-3-ium bromide
CID 134151498
5,6-Dimethyl-1,3-bis(naphthalen-2-ylmethyl)benzimidazol-3-ium bromide
CID 134151505

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole?
The IUPAC name of 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole (CID 167267911) is 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole is CC1(C)CCC(C)(C)c2cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccc(F)cc8)n7)c6c54)cc3)ccc21.
What is the InChIKey of 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole?
The InChIKey is IZTGTTBACNGWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42FN5/c1-52(2)30-31-53(3,4)44-32-36(22-29-43(44)52)33-20-25-38(26-21-33)58-45-16-10-8-14-39(45)41-27-28-42-40-15-9-11-17-46(40)59(48(42)47(41)58)51-56-49(34-12-6-5-7-13-34)55-50(57-51)35-18-23-37(54)24-19-35/h5-29,32H,30-31H2,1-4H3.
What are the key properties of 12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole?
12-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 767.95 g/mol, XLogP of 13.55, 5 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-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 167267911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).