2-(9,9-difluoro-7-naphthalen-1-ylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

C38H25F2N3 — CID 135247164

IUPAC2-(9,9-difluoro-7-naphthalen-1-ylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESFC1(F)c2cc(C3=NC(c4ccccc4)N=C(c4ccccc4)N3)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C38H25F2N3/c39-38(40)33-22-27(30-17-9-15-24-10-7-8-16-29(24)30)18-20-31(33)32-21-19-28(23-34(32)38)37-42-35(25-11-3-1-4-12-25)41-36(43-37)26-13-5-2-6-14-26/h1-23,35H,(H,41,42,43)
InChIKeyVSBOXWWAMUDETN-UHFFFAOYSA-N
MW561.64 g/mol
LogP9.12
Rot. Bonds4

About 2-(9,9-difluoro-7-naphthalen-1-ylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

2-(9,9-difluoro-7-naphthalen-1-ylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 135247164) has the molecular formula C38H25F2N3 and a molecular weight of 561.64 g/mol. Its IUPAC name is 2-(9,9-difluoro-7-naphthalen-1-ylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-difluoro-7-naphthalen-1-ylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID135247164
Molecular FormulaC38H25F2N3
Molecular Weight561.64 g/mol
Exact Mass561.20
IUPAC Name2-(9,9-difluoro-7-naphthalen-1-ylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESFC1(F)c2cc(C3=NC(c4ccccc4)N=C(c4ccccc4)N3)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C38H25F2N3/c39-38(40)33-22-27(30-17-9-15-24-10-7-8-16-29(24)30)18-20-31(33)32-21-19-28(23-34(32)38)37-42-35(25-11-3-1-4-12-25)41-36(43-37)26-13-5-2-6-14-26/h1-23,35H,(H,41,42,43)
InChIKeyVSBOXWWAMUDETN-UHFFFAOYSA-N
XLogP9.12
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.64
LogP ≤ 59.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(9,9-difluoro-7-naphthalen-1-ylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

2,3-Naphthalocyanine
CID 5490006
3-Imino-6,7-bis[3-(trifluoromethyl)phenyl]benzo[f]isoindol-1-amine
CID 11081383
ZINC naphthalocyanine
CID 129628435
2-[6-[3,5-bis(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole
CID 22083544
2-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]-4,5-dihydro-1H-imidazole
CID 22083548
2-[2-(2-Naphthalen-1-ylethyl)-3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744964
2-[2-(2-Naphthalen-1-ylethyl)-3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine;hydrochloride
CID 69238368
6-Cyclohexyl-1-imino-4-[3-(2,2,3,3-tetrafluoropropyl)phenyl]benzo[f]isoindol-3-amine
CID 117810139
2-(3-Fluoro-5-naphthalen-1-ylphenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 126592452
2-(2-Fluoro-4-naphthalen-1-ylphenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 126592453
5'-fluoro-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-3-carboximidamide
CID 134259738
2-[6-[2-[(1Z)-buta-1,3-dienyl]phenyl]-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 135247059

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-difluoro-7-naphthalen-1-ylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-(9,9-difluoro-7-naphthalen-1-ylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 135247164) is 2-(9,9-difluoro-7-naphthalen-1-ylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-difluoro-7-naphthalen-1-ylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-(9,9-difluoro-7-naphthalen-1-ylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is FC1(F)c2cc(C3=NC(c4ccccc4)N=C(c4ccccc4)N3)ccc2-c2ccc(-c3cccc4ccccc34)cc21.
What is the InChIKey of 2-(9,9-difluoro-7-naphthalen-1-ylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is VSBOXWWAMUDETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25F2N3/c39-38(40)33-22-27(30-17-9-15-24-10-7-8-16-29(24)30)18-20-31(33)32-21-19-28(23-34(32)38)37-42-35(25-11-3-1-4-12-25)41-36(43-37)26-13-5-2-6-14-26/h1-23,35H,(H,41,42,43).
What are the key properties of 2-(9,9-difluoro-7-naphthalen-1-ylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
2-(9,9-difluoro-7-naphthalen-1-ylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 561.64 g/mol, XLogP of 9.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-difluoro-7-naphthalen-1-ylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 135247164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).