12-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole

C48H32FN5 — CID 144595942

IUPAC12-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
SMILESCC1(C)c2cc(F)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc21
InChIInChI=1S/C48H32FN5/c1-48(2)39-27-30(21-23-33(39)34-24-22-31(49)28-40(34)48)46-50-45(29-13-5-3-6-14-29)51-47(52-46)54-42-20-12-10-18-36(42)38-26-25-37-35-17-9-11-19-41(35)53(43(37)44(38)54)32-15-7-4-8-16-32/h3-28H,1-2H3
InChIKeyYHGOZMJFIUWUPO-UHFFFAOYSA-N
MW697.82 g/mol
LogP11.85
Rot. Bonds4

About 12-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole

12-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 144595942) has the molecular formula C48H32FN5 and a molecular weight of 697.82 g/mol. Its IUPAC name is 12-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
PubChem CID144595942
Molecular FormulaC48H32FN5
Molecular Weight697.82 g/mol
Exact Mass697.26
IUPAC Name12-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
SMILESCC1(C)c2cc(F)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc21
InChIInChI=1S/C48H32FN5/c1-48(2)39-27-30(21-23-33(39)34-24-22-31(49)28-40(34)48)46-50-45(29-13-5-3-6-14-29)51-47(52-46)54-42-20-12-10-18-36(42)38-26-25-37-35-17-9-11-19-41(35)53(43(37)44(38)54)32-15-7-4-8-16-32/h3-28H,1-2H3
InChIKeyYHGOZMJFIUWUPO-UHFFFAOYSA-N
XLogP11.85
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.82
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
CID 25147556
1-((2,6-Difluorophenyl)methyl)-4-methyl-2-(2-naphthyl)benzimidazole
CID 468854
2-(4-(9,10-Di-naphthalen-2-yl-anthracen-2-yl)-phenyl)-1-phenyl-1H-benzoimidazole
CID 20771532
1,3,5-Tris(phenyl-2-benzimidazolyl)-benzene
CID 21932919
9,9',9''-(5-(4,6-Diphenyl-1,3,5-triazin-2-yl)benzene-1,2,3-triyl)tris(9H-carbazole)
CID 118424868
9,9',9''-(5-(4,6-Diphenyl-1,3,5-triazin-2-yl)benzene-1,2,3-triyl) tris(3,6-dimethyl-9H-carbazole)
CID 122212559
4'-((1,7'-Dimethyl-2'-propyl-1H,3'H-(2,5'-bibenzo(d)imidazol)-3'-yl)methyl)-(1,1'-biphenyl)-2-carbonitrile
CID 11961510
2-(4-(9h-Carbazol-9-yl)phenyl)-1-(3,5-difluorophenyl)-1h-phenanthro[9,10-d]imidazole
CID 171118274
N-isopropyl-2-[7-[6-(N-isopropylcarbamimidoyl)-1H-benzimidazol-2-yl]-9H-fluoren-2-yl]-3H-benzimidazole-5-carboxamidine
CID 460173
1,2-Diphenyl-1H-phenanthro[9,10-d]imidazole
CID 632862
3-(4-Methylphenyl)-2-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
CID 101875829
2-(4-Fluorophenyl)-3-phenylphenanthro[9,10-d]imidazole
CID 102194297

Frequently Asked Questions

What is the IUPAC name of 12-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole (CID 144595942) is 12-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole is CC1(C)c2cc(F)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc21.
What is the InChIKey of 12-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is YHGOZMJFIUWUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32FN5/c1-48(2)39-27-30(21-23-33(39)34-24-22-31(49)28-40(34)48)46-50-45(29-13-5-3-6-14-29)51-47(52-46)54-42-20-12-10-18-36(42)38-26-25-37-35-17-9-11-19-41(35)53(43(37)44(38)54)32-15-7-4-8-16-32/h3-28H,1-2H3.
What are the key properties of 12-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole?
12-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 697.82 g/mol, XLogP of 11.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(7-fluoro-9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 144595942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).