2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine

C35H22BrN3 — CID 171457187

IUPAC2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESBrc1ccc2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5ccccc5c4)n3)cc2c1
InChIInChI=1S/C35H22BrN3/c36-32-18-17-25-14-16-30(21-31(25)22-32)35-38-33(28-12-6-11-27(19-28)23-7-2-1-3-8-23)37-34(39-35)29-15-13-24-9-4-5-10-26(24)20-29/h1-22H
InChIKeyMCIMWDDBIPRIRV-UHFFFAOYSA-N
MW564.49 g/mol
LogP9.61
Rot. Bonds4

About 2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine

2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 171457187) has the molecular formula C35H22BrN3 and a molecular weight of 564.49 g/mol. Its IUPAC name is 2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID171457187
Molecular FormulaC35H22BrN3
Molecular Weight564.49 g/mol
Exact Mass563.10
IUPAC Name2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESBrc1ccc2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5ccccc5c4)n3)cc2c1
InChIInChI=1S/C35H22BrN3/c36-32-18-17-25-14-16-30(21-31(25)22-32)35-38-33(28-12-6-11-27(19-28)23-7-2-1-3-8-23)37-34(39-35)29-15-13-24-9-4-5-10-26(24)20-29/h1-22H
InChIKeyMCIMWDDBIPRIRV-UHFFFAOYSA-N
XLogP9.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.49
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154626597
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
2-naphthalen-2-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176588187
2-[3-[3-[3-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311605
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 126701419
2,4-bis(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-naphthalen-2-ylphenyl)phenyl]naphthalene;2-naphthalen-2-yl-4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 163792749
2-[3-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139339089
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
2-[3-(3-bromophenyl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 122548824

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine (CID 171457187) is 2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine is Brc1ccc2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5ccccc5c4)n3)cc2c1.
What is the InChIKey of 2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is MCIMWDDBIPRIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22BrN3/c36-32-18-17-25-14-16-30(21-31(25)22-32)35-38-33(28-12-6-11-27(19-28)23-7-2-1-3-8-23)37-34(39-35)29-15-13-24-9-4-5-10-26(24)20-29/h1-22H.
What are the key properties of 2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine?
2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 564.49 g/mol, XLogP of 9.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 171457187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).