6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine

C46H37N3 — CID 129099540

IUPAC6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc5ccccc5cc4C4=NC(c5ccccc5)NC(c5ccccc5)N4)cc3)cc21
InChIInChI=1S/C46H37N3/c1-46(2)41-20-12-11-19-37(41)38-26-25-36(29-42(38)46)30-21-23-31(24-22-30)39-27-34-17-9-10-18-35(34)28-40(39)45-48-43(32-13-5-3-6-14-32)47-44(49-45)33-15-7-4-8-16-33/h3-29,43-44,47H,1-2H3,(H,48,49)
InChIKeyZGZSTVKZZGCRFE-UHFFFAOYSA-N
MW631.82 g/mol
LogP10.82
Rot. Bonds5

About 6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine

6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 129099540) has the molecular formula C46H37N3 and a molecular weight of 631.82 g/mol. Its IUPAC name is 6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID129099540
Molecular FormulaC46H37N3
Molecular Weight631.82 g/mol
Exact Mass631.30
IUPAC Name6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc5ccccc5cc4C4=NC(c5ccccc5)NC(c5ccccc5)N4)cc3)cc21
InChIInChI=1S/C46H37N3/c1-46(2)41-20-12-11-19-37(41)38-26-25-36(29-42(38)46)30-21-23-31(24-22-30)39-27-34-17-9-10-18-35(34)28-40(39)45-48-43(32-13-5-3-6-14-32)47-44(49-45)33-15-7-4-8-16-33/h3-29,43-44,47H,1-2H3,(H,48,49)
InChIKeyZGZSTVKZZGCRFE-UHFFFAOYSA-N
XLogP10.82
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.82
LogP ≤ 510.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine with MolForge

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Related Compounds

2-[4-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 170410069
6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 142504521
6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 126543844
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100996
7-[4-[1-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 139314232
6-[2-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)-4-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 145377608
6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-2-phenanthren-9-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 142504715
7-[4-[2-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylfluorene-1-carbonitrile
CID 129099191
2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167196535
4-[3-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 174245608
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 129099540) is 6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc5ccccc5cc4C4=NC(c5ccccc5)NC(c5ccccc5)N4)cc3)cc21.
What is the InChIKey of 6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is ZGZSTVKZZGCRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37N3/c1-46(2)41-20-12-11-19-37(41)38-26-25-36(29-42(38)46)30-21-23-31(24-22-30)39-27-34-17-9-10-18-35(34)28-40(39)45-48-43(32-13-5-3-6-14-32)47-44(49-45)33-15-7-4-8-16-33/h3-29,43-44,47H,1-2H3,(H,48,49).
What are the key properties of 6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 631.82 g/mol, XLogP of 10.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 129099540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).