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

C43H29N3Se — CID 167666212

IUPAC2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenylbenzeneselenol
SMILES[SeH]c1c(-c2ccccc2)cccc1-c1ccc(-c2cccc3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)cc1
InChIInChI=1S/C43H29N3Se/c47-40-35(29-13-4-1-5-14-29)20-11-21-36(40)31-27-25-30(26-28-31)34-19-10-23-38-37(34)22-12-24-39(38)43-45-41(32-15-6-2-7-16-32)44-42(46-43)33-17-8-3-9-18-33/h1-28,47H
InChIKeyKCVULAYWNMYIFX-UHFFFAOYSA-N
MW666.69 g/mol
LogP9.55
Rot. Bonds6

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

2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenylbenzeneselenol (PubChem CID 167666212) has the molecular formula C43H29N3Se and a molecular weight of 666.69 g/mol. Its IUPAC name is 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenylbenzeneselenol.

Molecular Properties

Compound Name2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenylbenzeneselenol
PubChem CID167666212
Molecular FormulaC43H29N3Se
Molecular Weight666.69 g/mol
Exact Mass667.15
IUPAC Name2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenylbenzeneselenol
SMILES[SeH]c1c(-c2ccccc2)cccc1-c1ccc(-c2cccc3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)cc1
InChIInChI=1S/C43H29N3Se/c47-40-35(29-13-4-1-5-14-29)20-11-21-36(40)31-27-25-30(26-28-31)34-19-10-23-38-37(34)22-12-24-39(38)43-45-41(32-15-6-2-7-16-32)44-42(46-43)33-17-8-3-9-18-33/h1-28,47H
InChIKeyKCVULAYWNMYIFX-UHFFFAOYSA-N
XLogP9.55
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.69
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164969936
2-phenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzeneselenol
CID 167666213
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511
2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
2-(5-naphthalen-2-ylnaphthalen-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 176588131
2-(2,5-diphenylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297414
9-[4-[4-[4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]carbazole
CID 176632540
2-dibenzofuran-4-yl-4-phenyl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenylbenzeneselenol?
The IUPAC name of 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenylbenzeneselenol (CID 167666212) is 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenylbenzeneselenol.
What is the SMILES notation for 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenylbenzeneselenol?
The canonical SMILES for 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenylbenzeneselenol is [SeH]c1c(-c2ccccc2)cccc1-c1ccc(-c2cccc3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc23)cc1.
What is the InChIKey of 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenylbenzeneselenol?
The InChIKey is KCVULAYWNMYIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3Se/c47-40-35(29-13-4-1-5-14-29)20-11-21-36(40)31-27-25-30(26-28-31)34-19-10-23-38-37(34)22-12-24-39(38)43-45-41(32-15-6-2-7-16-32)44-42(46-43)33-17-8-3-9-18-33/h1-28,47H.
What are the key properties of 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenylbenzeneselenol?
2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenylbenzeneselenol has a molecular weight of 666.69 g/mol, XLogP of 9.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-6-phenylbenzeneselenol is sourced from PubChem (CID 167666212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).