2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane

C47H35N3 — CID 162159408

IUPAC2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane
SMILESC.c1ccc(-c2ccc(-c3cccc4c3Cc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc3-4)cc2)cc1
InChIInChI=1S/C46H31N3.CH4/c1-4-13-31(14-5-1)32-25-27-33(28-26-32)38-21-11-23-40-41-24-12-22-39(43(41)30-42(38)40)36-19-10-20-37(29-36)46-48-44(34-15-6-2-7-16-34)47-45(49-46)35-17-8-3-9-18-35;/h1-29H,30H2;1H4
InChIKeyZMGSIFHGVOJBOA-UHFFFAOYSA-N
MW641.82 g/mol
LogP12.08
Rot. Bonds6

About 2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane

2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane (PubChem CID 162159408) has the molecular formula C47H35N3 and a molecular weight of 641.82 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane
PubChem CID162159408
Molecular FormulaC47H35N3
Molecular Weight641.82 g/mol
Exact Mass641.28
IUPAC Name2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane
SMILESC.c1ccc(-c2ccc(-c3cccc4c3Cc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc3-4)cc2)cc1
InChIInChI=1S/C46H31N3.CH4/c1-4-13-31(14-5-1)32-25-27-33(28-26-32)38-21-11-23-40-41-24-12-22-39(43(41)30-42(38)40)36-19-10-20-37(29-36)46-48-44(34-15-6-2-7-16-34)47-45(49-46)35-17-8-3-9-18-35;/h1-29H,30H2;1H4
InChIKeyZMGSIFHGVOJBOA-UHFFFAOYSA-N
XLogP12.08
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.82
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 159922671
2,4-diphenyl-6-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 158972652
2,4-bis(4-methylphenyl)-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;bis(2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine);2-(4-methylphenyl)-4-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-6-[4-(trideuteriomethyl)phenyl]-1,3,5-triazine;2-(4-methylphenyl)-4-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-6-[4-(trideuteriomethyl)phenyl]-1,3,5-triazine
CID 158450582
2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134509781
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-3-yl]phenyl]-1,3,5-triazine
CID 118685423
2,4-diphenyl-6-[3-[6-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685425
2,4-diphenyl-6-[3-(8-phenyl-9H-fluoren-3-yl)phenyl]-1,3,5-triazine;methane
CID 161009939
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
6-phenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5H-indeno[1,2-d]pyrimidine
CID 118243379
2-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[6-(4-phenylphenyl)-9H-fluoren-1-yl]-1,3,5-triazine
CID 159788498
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 157184888
2,4-diphenyl-6-[3-[8-(9,9'-spirobi[fluorene]-2-yl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 121241550

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane?
The IUPAC name of 2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane (CID 162159408) is 2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane.
What is the SMILES notation for 2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane?
The canonical SMILES for 2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane is C.c1ccc(-c2ccc(-c3cccc4c3Cc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cccc3-4)cc2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane?
The InChIKey is ZMGSIFHGVOJBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3.CH4/c1-4-13-31(14-5-1)32-25-27-33(28-26-32)38-21-11-23-40-41-24-12-22-39(43(41)30-42(38)40)36-19-10-20-37(29-36)46-48-44(34-15-6-2-7-16-34)47-45(49-46)35-17-8-3-9-18-35;/h1-29H,30H2;1H4.
What are the key properties of 2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane?
2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane has a molecular weight of 641.82 g/mol, XLogP of 12.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane is sourced from PubChem (CID 162159408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).