2-[(3-cyclohepta-1,4,6-trien-1-yl-5-phenylphenyl)methyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

C43H31N3 — CID 91515561

IUPAC2-[(3-cyclohepta-1,4,6-trien-1-yl-5-phenylphenyl)methyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESC1=CCC=C(c2cc(Cc3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cc(-c3ccccc3)c2)C=C1
InChIInChI=1S/C43H31N3/c1-2-5-13-31(12-4-1)39-24-30(25-40(29-39)32-14-6-3-7-15-32)26-41-44-42(37-22-20-33-16-8-10-18-35(33)27-37)46-43(45-41)38-23-21-34-17-9-11-19-36(34)28-38/h1-4,6-25,27-29H,5,26H2
InChIKeyYUVQFVNWRHVTFM-UHFFFAOYSA-N
MW589.74 g/mol
LogP10.67
Rot. Bonds6

About 2-[(3-cyclohepta-1,4,6-trien-1-yl-5-phenylphenyl)methyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-[(3-cyclohepta-1,4,6-trien-1-yl-5-phenylphenyl)methyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 91515561) has the molecular formula C43H31N3 and a molecular weight of 589.74 g/mol. Its IUPAC name is 2-[(3-cyclohepta-1,4,6-trien-1-yl-5-phenylphenyl)methyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[(3-cyclohepta-1,4,6-trien-1-yl-5-phenylphenyl)methyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID91515561
Molecular FormulaC43H31N3
Molecular Weight589.74 g/mol
Exact Mass589.25
IUPAC Name2-[(3-cyclohepta-1,4,6-trien-1-yl-5-phenylphenyl)methyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESC1=CCC=C(c2cc(Cc3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cc(-c3ccccc3)c2)C=C1
InChIInChI=1S/C43H31N3/c1-2-5-13-31(12-4-1)39-24-30(25-40(29-39)32-14-6-3-7-15-32)26-41-44-42(37-22-20-33-16-8-10-18-35(33)27-37)46-43(45-41)38-23-21-34-17-9-11-19-36(34)28-38/h1-4,6-25,27-29H,5,26H2
InChIKeyYUVQFVNWRHVTFM-UHFFFAOYSA-N
XLogP10.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[3-[3-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311605
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
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871
2-[4-(2-methylpropyl)phenyl]-4-(naphthalen-2-ylmethyl)-6-phenyl-1,3,5-triazine
CID 131966641
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-naphthalen-2-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176588187
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane
CID 165043566
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohepta-1,4,6-trien-1-yl-5-phenylphenyl)methyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-[(3-cyclohepta-1,4,6-trien-1-yl-5-phenylphenyl)methyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 91515561) is 2-[(3-cyclohepta-1,4,6-trien-1-yl-5-phenylphenyl)methyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[(3-cyclohepta-1,4,6-trien-1-yl-5-phenylphenyl)methyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[(3-cyclohepta-1,4,6-trien-1-yl-5-phenylphenyl)methyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is C1=CCC=C(c2cc(Cc3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)cc(-c3ccccc3)c2)C=C1.
What is the InChIKey of 2-[(3-cyclohepta-1,4,6-trien-1-yl-5-phenylphenyl)methyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is YUVQFVNWRHVTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3/c1-2-5-13-31(12-4-1)39-24-30(25-40(29-39)32-14-6-3-7-15-32)26-41-44-42(37-22-20-33-16-8-10-18-35(33)27-37)46-43(45-41)38-23-21-34-17-9-11-19-36(34)28-38/h1-4,6-25,27-29H,5,26H2.
What are the key properties of 2-[(3-cyclohepta-1,4,6-trien-1-yl-5-phenylphenyl)methyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-[(3-cyclohepta-1,4,6-trien-1-yl-5-phenylphenyl)methyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 589.74 g/mol, XLogP of 10.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohepta-1,4,6-trien-1-yl-5-phenylphenyl)methyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 91515561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).