2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

C59H37N5 — CID 126681837

IUPAC2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c5ccccc45)c4ccccc34)n2)cc1
InChIInChI=1S/C59H37N5/c1-3-17-40(18-4-1)54-37-55(41-19-5-2-6-20-41)61-58(60-54)52-33-31-50(46-23-11-13-25-48(46)52)51-32-34-53(49-26-14-12-24-47(49)51)59-63-56(44-29-27-38-15-7-9-21-42(38)35-44)62-57(64-59)45-30-28-39-16-8-10-22-43(39)36-45/h1-37H
InChIKeyQPWKCGPDWDJATP-UHFFFAOYSA-N
MW815.98 g/mol
LogP14.94
Rot. Bonds7

About 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 126681837) has the molecular formula C59H37N5 and a molecular weight of 815.98 g/mol. Its IUPAC name is 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID126681837
Molecular FormulaC59H37N5
Molecular Weight815.98 g/mol
Exact Mass815.30
IUPAC Name2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c5ccccc45)c4ccccc34)n2)cc1
InChIInChI=1S/C59H37N5/c1-3-17-40(18-4-1)54-37-55(41-19-5-2-6-20-41)61-58(60-54)52-33-31-50(46-23-11-13-25-48(46)52)51-32-34-53(49-26-14-12-24-47(49)51)59-63-56(44-29-27-38-15-7-9-21-42(38)35-44)62-57(64-59)45-30-28-39-16-8-10-22-43(39)36-45/h1-37H
InChIKeyQPWKCGPDWDJATP-UHFFFAOYSA-N
XLogP14.94
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.98
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;bis(2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163499320
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-[4-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244175
2-[3-[3-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine;2-[3-[3-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-(2-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159368312
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 177076820
2-naphthalen-1-yl-4-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244397
CID 163784067
CID 163784067
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
2-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180017
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-[7-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162157142
2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 129101509

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 126681837) is 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c5ccccc45)c4ccccc34)n2)cc1.
What is the InChIKey of 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is QPWKCGPDWDJATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5/c1-3-17-40(18-4-1)54-37-55(41-19-5-2-6-20-41)61-58(60-54)52-33-31-50(46-23-11-13-25-48(46)52)51-32-34-53(49-26-14-12-24-47(49)51)59-63-56(44-29-27-38-15-7-9-21-42(38)35-44)62-57(64-59)45-30-28-39-16-8-10-22-43(39)36-45/h1-37H.
What are the key properties of 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 815.98 g/mol, XLogP of 14.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 126681837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).