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

C39H28ClN3 — CID 166801479

IUPAC6-[4-(4-chloronaphthalen-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESClc1ccc(-c2ccc(C3=NC(c4ccc5ccccc5c4)NC(c4ccccc4)N3)c3ccccc23)c2ccccc12
InChIInChI=1S/C39H28ClN3/c40-36-23-22-33(30-15-8-9-17-34(30)36)32-20-21-35(31-16-7-6-14-29(31)32)39-42-37(26-11-2-1-3-12-26)41-38(43-39)28-19-18-25-10-4-5-13-27(25)24-28/h1-24,37-38,41H,(H,42,43)
InChIKeyNDLBGTYYZDQIGF-UHFFFAOYSA-N
MW574.13 g/mol
LogP9.80
Rot. Bonds4

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

6-[4-(4-chloronaphthalen-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 166801479) has the molecular formula C39H28ClN3 and a molecular weight of 574.13 g/mol. Its IUPAC name is 6-[4-(4-chloronaphthalen-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name6-[4-(4-chloronaphthalen-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID166801479
Molecular FormulaC39H28ClN3
Molecular Weight574.13 g/mol
Exact Mass573.20
IUPAC Name6-[4-(4-chloronaphthalen-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESClc1ccc(-c2ccc(C3=NC(c4ccc5ccccc5c4)NC(c4ccccc4)N3)c3ccccc23)c2ccccc12
InChIInChI=1S/C39H28ClN3/c40-36-23-22-33(30-15-8-9-17-34(30)36)32-20-21-35(31-16-7-6-14-29(31)32)39-42-37(26-11-2-1-3-12-26)41-38(43-39)28-19-18-25-10-4-5-13-27(25)24-28/h1-24,37-38,41H,(H,42,43)
InChIKeyNDLBGTYYZDQIGF-UHFFFAOYSA-N
XLogP9.80
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.13
LogP ≤ 59.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
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11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
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6-chloro-2-naphthalen-2-yl-4-(4-phenylnaphthalen-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166801791
6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 142504521
9-(4-naphthalen-2-yl-2-phenanthren-3-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-c]pyridine
CID 166801866
N'-(4,6-dichloropyrimidin-2-yl)-1-[4-[4-(2,4-dinaphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]methanediamine
CID 145390200
6-[2-(9,9-dimethyl-1,9a-dihydrofluoren-3-yl)-4-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 145377608
2-cyclohexa-1,5-dien-1-yl-4-[6-(2-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 174246609
9-[2-naphthalen-2-yl-4-(4-phenylnaphthalen-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-b]pyridine
CID 166801790
6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
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2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 170277804
5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
CID 166801193

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chloronaphthalen-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 6-[4-(4-chloronaphthalen-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 166801479) is 6-[4-(4-chloronaphthalen-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 6-[4-(4-chloronaphthalen-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 6-[4-(4-chloronaphthalen-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is Clc1ccc(-c2ccc(C3=NC(c4ccc5ccccc5c4)NC(c4ccccc4)N3)c3ccccc23)c2ccccc12.
What is the InChIKey of 6-[4-(4-chloronaphthalen-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is NDLBGTYYZDQIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28ClN3/c40-36-23-22-33(30-15-8-9-17-34(30)36)32-20-21-35(31-16-7-6-14-29(31)32)39-42-37(26-11-2-1-3-12-26)41-38(43-39)28-19-18-25-10-4-5-13-27(25)24-28/h1-24,37-38,41H,(H,42,43).
What are the key properties of 6-[4-(4-chloronaphthalen-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
6-[4-(4-chloronaphthalen-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 574.13 g/mol, XLogP of 9.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-chloronaphthalen-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 166801479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).