2,4-diphenyl-6-[10-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]-1,3,5-triazine

C49H41N3 — CID 171748924

IUPAC2,4-diphenyl-6-[10-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]-1,3,5-triazine
SMILESCC1(C)CCC(C)(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)cc3)ccc21
InChIInChI=1S/C49H41N3/c1-48(2)29-30-49(3,4)42-31-36(27-28-41(42)48)32-23-25-33(26-24-32)43-37-19-11-13-21-39(37)44(40-22-14-12-20-38(40)43)47-51-45(34-15-7-5-8-16-34)50-46(52-47)35-17-9-6-10-18-35/h5-28,31H,29-30H2,1-4H3
InChIKeyRALZNADQPDCWMM-UHFFFAOYSA-N
MW671.89 g/mol
LogP12.86
Rot. Bonds5

About 2,4-diphenyl-6-[10-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]-1,3,5-triazine

2,4-diphenyl-6-[10-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]-1,3,5-triazine (PubChem CID 171748924) has the molecular formula C49H41N3 and a molecular weight of 671.89 g/mol. Its IUPAC name is 2,4-diphenyl-6-[10-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[10-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]-1,3,5-triazine
PubChem CID171748924
Molecular FormulaC49H41N3
Molecular Weight671.89 g/mol
Exact Mass671.33
IUPAC Name2,4-diphenyl-6-[10-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]-1,3,5-triazine
SMILESCC1(C)CCC(C)(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)cc3)ccc21
InChIInChI=1S/C49H41N3/c1-48(2)29-30-49(3,4)42-31-36(27-28-41(42)48)32-23-25-33(26-24-32)43-37-19-11-13-21-39(37)44(40-22-14-12-20-38(40)43)47-51-45(34-15-7-5-8-16-34)50-46(52-47)35-17-9-6-10-18-35/h5-28,31H,29-30H2,1-4H3
InChIKeyRALZNADQPDCWMM-UHFFFAOYSA-N
XLogP12.86
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.89
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-phenanthren-9-yl-4-(4-phenylphenyl)-6-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171748971
2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 171749065
2,4-diphenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine
CID 58454367
5-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507243
4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 171735947
1,1,4,4-tetramethyl-6-phenyl-2,3-dihydroanthracene
CID 10470919
2-(3,5-ditert-butylphenyl)-4-[3-isocyano-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 171749174
2,4-diphenyl-6-[4-(9,9,10,10-tetramethyl-6-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,12,15,17,19,21-decaenyl)phenyl]-1,3,5-triazine
CID 163555543
2-(4-cyclohexylphenyl)-4-[3-fluoro-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 171749143
2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90361453
12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 167268675
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[10-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[10-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]-1,3,5-triazine (CID 171748924) is 2,4-diphenyl-6-[10-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[10-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[10-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]-1,3,5-triazine is CC1(C)CCC(C)(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)cc3)ccc21.
What is the InChIKey of 2,4-diphenyl-6-[10-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]-1,3,5-triazine?
The InChIKey is RALZNADQPDCWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N3/c1-48(2)29-30-49(3,4)42-31-36(27-28-41(42)48)32-23-25-33(26-24-32)43-37-19-11-13-21-39(37)44(40-22-14-12-20-38(40)43)47-51-45(34-15-7-5-8-16-34)50-46(52-47)35-17-9-6-10-18-35/h5-28,31H,29-30H2,1-4H3.
What are the key properties of 2,4-diphenyl-6-[10-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]-1,3,5-triazine?
2,4-diphenyl-6-[10-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]-1,3,5-triazine has a molecular weight of 671.89 g/mol, XLogP of 12.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[10-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]-1,3,5-triazine is sourced from PubChem (CID 171748924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).