2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine

C66H44N6 — CID 129227953

IUPAC2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4ccc5ccccc5c4-c4c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc8ccccc78)n6)cc5)ccc5ccccc45)cc3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C66H44N6/c1-4-20-48(21-5-1)61-67-62(49-22-6-2-7-23-49)69-64(68-61)51-35-31-46(32-36-51)56-41-39-44-18-11-14-28-54(44)59(56)60-55-29-15-12-19-45(55)40-42-57(60)47-33-37-52(38-34-47)65-70-63(50-24-8-3-9-25-50)71-66(72-65)58-30-16-26-43-17-10-13-27-53(43)58/h1-42,64H,(H,67,68,69)
InChIKeyOBKFTVNSEYEOLR-UHFFFAOYSA-N
MW921.12 g/mol
LogP15.83
Rot. Bonds9

About 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine

2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 129227953) has the molecular formula C66H44N6 and a molecular weight of 921.12 g/mol. Its IUPAC name is 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
PubChem CID129227953
Molecular FormulaC66H44N6
Molecular Weight921.12 g/mol
Exact Mass920.36
IUPAC Name2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4ccc5ccccc5c4-c4c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc8ccccc78)n6)cc5)ccc5ccccc45)cc3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C66H44N6/c1-4-20-48(21-5-1)61-67-62(49-22-6-2-7-23-49)69-64(68-61)51-35-31-46(32-36-51)56-41-39-44-18-11-14-28-54(44)59(56)60-55-29-15-12-19-45(55)40-42-57(60)47-33-37-52(38-34-47)65-70-63(50-24-8-3-9-25-50)71-66(72-65)58-30-16-26-43-17-10-13-27-53(43)58/h1-42,64H,(H,67,68,69)
InChIKeyOBKFTVNSEYEOLR-UHFFFAOYSA-N
XLogP15.83
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.12
LogP ≤ 515.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 154940466
2-[4-[6-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139339084
2-naphthalen-1-yl-4-phenyl-6-[4-[4-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 142453353
6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 145415039
7-[4-[4-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-1H-indole
CID 146647440
2-(4-naphthalen-1-ylphenyl)-6-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine
CID 145340320
3-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 146648799
6-[4-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156553975
4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 137223943
2-[4-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3-(2,3,4,5,6-pentamethylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174267888
5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine
CID 136941858
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (CID 129227953) is 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is c1ccc(C2=NC(c3ccc(-c4ccc5ccccc5c4-c4c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc8ccccc78)n6)cc5)ccc5ccccc45)cc3)NC(c3ccccc3)=N2)cc1.
What is the InChIKey of 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The InChIKey is OBKFTVNSEYEOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N6/c1-4-20-48(21-5-1)61-67-62(49-22-6-2-7-23-49)69-64(68-61)51-35-31-46(32-36-51)56-41-39-44-18-11-14-28-54(44)59(56)60-55-29-15-12-19-45(55)40-42-57(60)47-33-37-52(38-34-47)65-70-63(50-24-8-3-9-25-50)71-66(72-65)58-30-16-26-43-17-10-13-27-53(43)58/h1-42,64H,(H,67,68,69).
What are the key properties of 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine has a molecular weight of 921.12 g/mol, XLogP of 15.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 129227953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).