2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine

C55H35N3 — CID 153301943

IUPAC2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C55H35N3/c1-2-15-40(16-3-1)53-56-54(58-55(57-53)46-32-28-37-14-5-7-18-42(37)34-46)45-20-12-19-44(35-45)52-49-23-10-8-21-47(49)51(48-22-9-11-24-50(48)52)39-29-25-38(26-30-39)43-31-27-36-13-4-6-17-41(36)33-43/h1-35H
InChIKeyYEMJKVOTYDFKDF-UHFFFAOYSA-N
MW737.91 g/mol
LogP14.49
Rot. Bonds6

About 2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine

2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 153301943) has the molecular formula C55H35N3 and a molecular weight of 737.91 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine
PubChem CID153301943
Molecular FormulaC55H35N3
Molecular Weight737.91 g/mol
Exact Mass737.28
IUPAC Name2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C55H35N3/c1-2-15-40(16-3-1)53-56-54(58-55(57-53)46-32-28-37-14-5-7-18-42(37)34-46)45-20-12-19-44(35-45)52-49-23-10-8-21-47(49)51(48-22-9-11-24-50(48)52)39-29-25-38(26-30-39)43-31-27-36-13-4-6-17-41(36)33-43/h1-35H
InChIKeyYEMJKVOTYDFKDF-UHFFFAOYSA-N
XLogP14.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.91
LogP ≤ 514.49
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

9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154626597
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
2-naphthalen-2-yl-4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 158825847
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
2-[3-[3-[3-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311605

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 153301943) is 2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is YEMJKVOTYDFKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3/c1-2-15-40(16-3-1)53-56-54(58-55(57-53)46-32-28-37-14-5-7-18-42(37)34-46)45-20-12-19-44(35-45)52-49-23-10-8-21-47(49)51(48-22-9-11-24-50(48)52)39-29-25-38(26-30-39)43-31-27-36-13-4-6-17-41(36)33-43/h1-35H.
What are the key properties of 2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine?
2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 737.91 g/mol, XLogP of 14.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 153301943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).