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

C55H35N3 — CID 176632656

IUPAC2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C55H35N3/c1-4-16-36(17-5-1)43-32-33-50(45-23-11-10-22-44(43)45)55-57-53(38-20-8-3-9-21-38)56-54(58-55)42-31-29-39-34-41(30-28-40(39)35-42)52-48-26-14-12-24-46(48)51(37-18-6-2-7-19-37)47-25-13-15-27-49(47)52/h1-35H
InChIKeySZYPKVXFTRLPHR-UHFFFAOYSA-N
MW737.91 g/mol
LogP14.49
Rot. Bonds6

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

2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 176632656) has the molecular formula C55H35N3 and a molecular weight of 737.91 g/mol. Its IUPAC name is 2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID176632656
Molecular FormulaC55H35N3
Molecular Weight737.91 g/mol
Exact Mass737.28
IUPAC Name2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C55H35N3/c1-4-16-36(17-5-1)43-32-33-50(45-23-11-10-22-44(43)45)55-57-53(38-20-8-3-9-21-38)56-54(58-55)42-31-29-39-34-41(30-28-40(39)35-42)52-48-26-14-12-24-46(48)51(37-18-6-2-7-19-37)47-25-13-15-27-49(47)52/h1-35H
InChIKeySZYPKVXFTRLPHR-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

2-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176632523
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 164975629
2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 153301943
9-phenyl-10-[4-[6-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]phenyl]anthracene;9-phenyl-10-[4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene;9-phenyl-10-[4-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]phenyl]anthracene;9-phenyl-10-[4-[4-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 159018384
2-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180017
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
2-(1-phenylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176632434
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
2-[4-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244175
2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 176632194
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 58233244

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (CID 176632656) is 2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)nc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1.
What is the InChIKey of 2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is SZYPKVXFTRLPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3/c1-4-16-36(17-5-1)43-32-33-50(45-23-11-10-22-44(43)45)55-57-53(38-20-8-3-9-21-38)56-54(58-55)42-31-29-39-34-41(30-28-40(39)35-42)52-48-26-14-12-24-46(48)51(37-18-6-2-7-19-37)47-25-13-15-27-49(47)52/h1-35H.
What are the key properties of 2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylnaphthalen-1-yl)-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-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 176632656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).