2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane

C49H55N3 — CID 165043566

IUPAC2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane
SMILESCC.CC.CC.CC.CC.c1ccc(-c2ccc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc3c2)cc1
InChIInChI=1S/C39H25N3.5C2H6/c1-2-8-26(9-3-1)31-16-17-33-25-36(21-18-32(33)22-31)39-41-37(34-19-14-27-10-4-6-12-29(27)23-34)40-38(42-39)35-20-15-28-11-5-7-13-30(28)24-35;5*1-2/h1-25H;5*1-2H3
InChIKeyONIGGLMYWJSQMK-UHFFFAOYSA-N
MW686.00 g/mol
LogP15.13
Rot. Bonds4

About 2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane

2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane (PubChem CID 165043566) has the molecular formula C49H55N3 and a molecular weight of 686.00 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane.

Molecular Properties

Compound Name2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane
PubChem CID165043566
Molecular FormulaC49H55N3
Molecular Weight686.00 g/mol
Exact Mass685.44
IUPAC Name2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane
SMILESCC.CC.CC.CC.CC.c1ccc(-c2ccc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc3c2)cc1
InChIInChI=1S/C39H25N3.5C2H6/c1-2-8-26(9-3-1)31-16-17-33-25-36(21-18-32(33)22-31)39-41-37(34-19-14-27-10-4-6-12-29(27)23-34)40-38(42-39)35-20-15-28-11-5-7-13-30(28)24-35;5*1-2/h1-25H;5*1-2H3
InChIKeyONIGGLMYWJSQMK-UHFFFAOYSA-N
XLogP15.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.00
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
2-naphthalen-2-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176588187
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
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
2,4-bis(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-naphthalen-2-ylphenyl)phenyl]naphthalene;2-naphthalen-2-yl-4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 163792749
2-[3-[3-[3-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311605
2-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 18787948
2,4-diphenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166737815

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane?
The IUPAC name of 2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane (CID 165043566) is 2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane.
What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane?
The canonical SMILES for 2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane is CC.CC.CC.CC.CC.c1ccc(-c2ccc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc3c2)cc1.
What is the InChIKey of 2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane?
The InChIKey is ONIGGLMYWJSQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3.5C2H6/c1-2-8-26(9-3-1)31-16-17-33-25-36(21-18-32(33)22-31)39-41-37(34-19-14-27-10-4-6-12-29(27)23-34)40-38(42-39)35-20-15-28-11-5-7-13-30(28)24-35;5*1-2/h1-25H;5*1-2H3.
What are the key properties of 2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane?
2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane has a molecular weight of 686.00 g/mol, XLogP of 15.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane is sourced from PubChem (CID 165043566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).