2-[3-[6-(3-methylnaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine

C58H39N3 — CID 169040053

IUPAC2-[3-[6-(3-methylnaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCc1cc(-c2ccc3cc(-c4cccc(-c5nc(-c6cccc(-c7ccccc7)c6)nc(-c6c(-c7ccccc7)ccc7ccccc67)n5)c4)ccc3c2)c2ccccc2c1
InChIInChI=1S/C58H39N3/c1-38-32-47-19-9-10-24-51(47)54(33-38)48-29-28-45-34-44(26-27-46(45)35-48)43-21-13-23-50(37-43)57-59-56(49-22-12-20-42(36-49)39-14-4-2-5-15-39)60-58(61-57)55-52-25-11-8-18-41(52)30-31-53(55)40-16-6-3-7-17-40/h2-37H,1H3
InChIKeyRJKASULSDUIFHR-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.31
Rot. Bonds7

About 2-[3-[6-(3-methylnaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine

2-[3-[6-(3-methylnaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 169040053) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is 2-[3-[6-(3-methylnaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[6-(3-methylnaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID169040053
Molecular FormulaC58H39N3
Molecular Weight777.97 g/mol
Exact Mass777.31
IUPAC Name2-[3-[6-(3-methylnaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCc1cc(-c2ccc3cc(-c4cccc(-c5nc(-c6cccc(-c7ccccc7)c6)nc(-c6c(-c7ccccc7)ccc7ccccc67)n5)c4)ccc3c2)c2ccccc2c1
InChIInChI=1S/C58H39N3/c1-38-32-47-19-9-10-24-51(47)54(33-38)48-29-28-45-34-44(26-27-46(45)35-48)43-21-13-23-50(37-43)57-59-56(49-22-12-20-42(36-49)39-14-4-2-5-15-39)60-58(61-57)55-52-25-11-8-18-41(52)30-31-53(55)40-16-6-3-7-17-40/h2-37H,1H3
InChIKeyRJKASULSDUIFHR-UHFFFAOYSA-N
XLogP15.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166022163
2-naphthalen-2-yl-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165027661
2-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]-6-[4-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 177278748
2-chloro-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169039928
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169302485
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730881
2-naphthalen-2-yl-4-[3-(6-naphthalen-1-yl-4-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169040010
2-naphthalen-2-yl-4-phenanthren-2-yl-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 174232916
2-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180017
2,4-dinaphthalen-1-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598334
2-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-2-yl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 176587633

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(3-methylnaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-[6-(3-methylnaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 169040053) is 2-[3-[6-(3-methylnaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-[6-(3-methylnaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-[6-(3-methylnaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine is Cc1cc(-c2ccc3cc(-c4cccc(-c5nc(-c6cccc(-c7ccccc7)c6)nc(-c6c(-c7ccccc7)ccc7ccccc67)n5)c4)ccc3c2)c2ccccc2c1.
What is the InChIKey of 2-[3-[6-(3-methylnaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is RJKASULSDUIFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-38-32-47-19-9-10-24-51(47)54(33-38)48-29-28-45-34-44(26-27-46(45)35-48)43-21-13-23-50(37-43)57-59-56(49-22-12-20-42(36-49)39-14-4-2-5-15-39)60-58(61-57)55-52-25-11-8-18-41(52)30-31-53(55)40-16-6-3-7-17-40/h2-37H,1H3.
What are the key properties of 2-[3-[6-(3-methylnaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
2-[3-[6-(3-methylnaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 777.97 g/mol, XLogP of 15.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(3-methylnaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 169040053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).