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

C31H20BrN3 — CID 156561599

IUPAC2-[3-(3-bromophenyl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESBrc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5ccccc45)n3)c2)c1
InChIInChI=1S/C31H20BrN3/c32-26-16-7-14-24(20-26)23-13-6-15-25(19-23)30-33-29(22-10-2-1-3-11-22)34-31(35-30)28-18-8-12-21-9-4-5-17-27(21)28/h1-20H
InChIKeyALAAVLXBQKQYDV-UHFFFAOYSA-N
MW514.43 g/mol
LogP8.46
Rot. Bonds4

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

2-[3-(3-bromophenyl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 156561599) has the molecular formula C31H20BrN3 and a molecular weight of 514.43 g/mol. Its IUPAC name is 2-[3-(3-bromophenyl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(3-bromophenyl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
PubChem CID156561599
Molecular FormulaC31H20BrN3
Molecular Weight514.43 g/mol
Exact Mass513.08
IUPAC Name2-[3-(3-bromophenyl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESBrc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5ccccc45)n3)c2)c1
InChIInChI=1S/C31H20BrN3/c32-26-16-7-14-24(20-26)23-13-6-15-25(19-23)30-33-29(22-10-2-1-3-11-22)34-31(35-30)28-18-8-12-21-9-4-5-17-27(21)28/h1-20H
InChIKeyALAAVLXBQKQYDV-UHFFFAOYSA-N
XLogP8.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.43
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2-naphthalen-1-yl-4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 165098602
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2,4-dinaphthalen-1-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598334
2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311645
2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine
CID 158833777
2-naphthalen-1-yl-4-(4-phenylphenyl)-6-(3-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 146586993
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161312431

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromophenyl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(3-bromophenyl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (CID 156561599) is 2-[3-(3-bromophenyl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(3-bromophenyl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(3-bromophenyl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is Brc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5ccccc45)n3)c2)c1.
What is the InChIKey of 2-[3-(3-bromophenyl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The InChIKey is ALAAVLXBQKQYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20BrN3/c32-26-16-7-14-24(20-26)23-13-6-15-25(19-23)30-33-29(22-10-2-1-3-11-22)34-31(35-30)28-18-8-12-21-9-4-5-17-27(21)28/h1-20H.
What are the key properties of 2-[3-(3-bromophenyl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
2-[3-(3-bromophenyl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine has a molecular weight of 514.43 g/mol, XLogP of 8.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromophenyl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 156561599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).