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

C57H37N3 — CID 177278748

IUPAC2-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]-6-[4-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4nc(-c5cccc(-c6ccc(-c7ccccc7)c7ccccc67)c5)nc(-c5ccc6ccccc6c5)n4)cc4ccccc34)cc2)cc1
InChIInChI=1S/C57H37N3/c1-3-14-38(15-4-1)40-26-29-42(30-27-40)54-37-48(36-44-20-9-10-23-49(44)54)57-59-55(58-56(60-57)47-31-28-39-16-7-8-19-43(39)34-47)46-22-13-21-45(35-46)51-33-32-50(41-17-5-2-6-18-41)52-24-11-12-25-53(51)52/h1-37H
InChIKeySPSYDLMARYFTHC-UHFFFAOYSA-N
MW763.94 g/mol
LogP15.00
Rot. Bonds7

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

2-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]-6-[4-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine (PubChem CID 177278748) has the molecular formula C57H37N3 and a molecular weight of 763.94 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]-6-[4-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]-6-[4-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
PubChem CID177278748
Molecular FormulaC57H37N3
Molecular Weight763.94 g/mol
Exact Mass763.30
IUPAC Name2-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]-6-[4-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4nc(-c5cccc(-c6ccc(-c7ccccc7)c7ccccc67)c5)nc(-c5ccc6ccccc6c5)n4)cc4ccccc34)cc2)cc1
InChIInChI=1S/C57H37N3/c1-3-14-38(15-4-1)40-26-29-42(30-27-40)54-37-48(36-44-20-9-10-23-49(44)54)57-59-55(58-56(60-57)47-31-28-39-16-7-8-19-43(39)34-47)46-22-13-21-45(35-46)51-33-32-50(41-17-5-2-6-18-41)52-24-11-12-25-53(51)52/h1-37H
InChIKeySPSYDLMARYFTHC-UHFFFAOYSA-N
XLogP15.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.94
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-2-yl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 176587633
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-phenanthren-2-yl-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 174232916
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-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730921
2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166022163
2,4-dinaphthalen-2-yl-6-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 122416036
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-dinaphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165085308
2-naphthalen-2-yl-4-(3-phenanthren-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 165044168
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 169297295
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169302485

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]-6-[4-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]-6-[4-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine (CID 177278748) is 2-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]-6-[4-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]-6-[4-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]-6-[4-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3cc(-c4nc(-c5cccc(-c6ccc(-c7ccccc7)c7ccccc67)c5)nc(-c5ccc6ccccc6c5)n4)cc4ccccc34)cc2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]-6-[4-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine?
The InChIKey is SPSYDLMARYFTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3/c1-3-14-38(15-4-1)40-26-29-42(30-27-40)54-37-48(36-44-20-9-10-23-49(44)54)57-59-55(58-56(60-57)47-31-28-39-16-7-8-19-43(39)34-47)46-22-13-21-45(35-46)51-33-32-50(41-17-5-2-6-18-41)52-24-11-12-25-53(51)52/h1-37H.
What are the key properties of 2-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]-6-[4-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine?
2-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]-6-[4-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine has a molecular weight of 763.94 g/mol, XLogP of 15.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-[3-(4-phenylnaphthalen-1-yl)phenyl]-6-[4-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 177278748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).