2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine

C46H35N3 — CID 129100994

IUPAC2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)NC(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)N2)cc1
InChIInChI=1S/C46H35N3/c1-5-16-32(17-6-1)33-28-30-35(31-29-33)44-47-43(34-18-7-2-8-19-34)48-45(49-44)39-25-15-27-41-42(39)38-24-13-14-26-40(38)46(41,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h1-31,44-45,49H,(H,47,48)
InChIKeyVIQANYVYMJJTKB-UHFFFAOYSA-N
MW629.81 g/mol
LogP10.05
Rot. Bonds6

About 2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine

2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 129100994) has the molecular formula C46H35N3 and a molecular weight of 629.81 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID129100994
Molecular FormulaC46H35N3
Molecular Weight629.81 g/mol
Exact Mass629.28
IUPAC Name2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)NC(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)N2)cc1
InChIInChI=1S/C46H35N3/c1-5-16-32(17-6-1)33-28-30-35(31-29-33)44-47-43(34-18-7-2-8-19-34)48-45(49-44)39-25-15-27-41-42(39)38-24-13-14-26-40(38)46(41,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h1-31,44-45,49H,(H,47,48)
InChIKeyVIQANYVYMJJTKB-UHFFFAOYSA-N
XLogP10.05
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.81
LogP ≤ 510.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine with MolForge

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Related Compounds

4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099120
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100996
2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099536
4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146321879
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
6-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 126543719
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
4-[3-[4-[5-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-2-methylspiro[fluorene-9,9'-xanthene]-3'-yl]-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]benzonitrile
CID 146322016
4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 129157187
4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166696111
2-(2-benzo[a]anthracen-7-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167252922
6-cyclohexa-1,5-dien-1-yl-4-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-yl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 130379799

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine (CID 129100994) is 2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)NC(c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)N2)cc1.
What is the InChIKey of 2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is VIQANYVYMJJTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N3/c1-5-16-32(17-6-1)33-28-30-35(31-29-33)44-47-43(34-18-7-2-8-19-34)48-45(49-44)39-25-15-27-41-42(39)38-24-13-14-26-40(38)46(41,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h1-31,44-45,49H,(H,47,48).
What are the key properties of 2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine?
2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 629.81 g/mol, XLogP of 10.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 129100994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).