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

C31H20BrN3 — CID 168801574

IUPAC2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESBrc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3)n2)c2ccccc12
InChIInChI=1S/C31H20BrN3/c32-28-20-19-27(24-16-8-9-17-25(24)28)31-34-29(22-13-5-2-6-14-22)33-30(35-31)26-18-10-7-15-23(26)21-11-3-1-4-12-21/h1-20H
InChIKeyFFLZAWBTRCJBGY-UHFFFAOYSA-N
MW514.43 g/mol
LogP8.46
Rot. Bonds4

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

2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 168801574) has the molecular formula C31H20BrN3 and a molecular weight of 514.43 g/mol. Its IUPAC name is 2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID168801574
Molecular FormulaC31H20BrN3
Molecular Weight514.43 g/mol
Exact Mass513.08
IUPAC Name2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESBrc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3)n2)c2ccccc12
InChIInChI=1S/C31H20BrN3/c32-28-20-19-27(24-16-8-9-17-25(24)28)31-34-29(22-13-5-2-6-14-22)33-30(35-31)26-18-10-7-15-23(26)21-11-3-1-4-12-21/h1-20H
InChIKeyFFLZAWBTRCJBGY-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-(4-bromonaphthalen-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 165029034
4-[4-(4-bromonaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 166031234
1-bromo-4-(4-bromonaphthalen-1-yl)naphthalene;2-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-chloro-4,6-diphenylpyrimidine;2-chloro-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 159327927
2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine
CID 129258763
2-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 156547373
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 146481095
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052536
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052556
2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155151393
2-(2-chlorophenyl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155151395
2-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 165007118

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (CID 168801574) is 2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is Brc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3)n2)c2ccccc12.
What is the InChIKey of 2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is FFLZAWBTRCJBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20BrN3/c32-28-20-19-27(24-16-8-9-17-25(24)28)31-34-29(22-13-5-2-6-14-22)33-30(35-31)26-18-10-7-15-23(26)21-11-3-1-4-12-21/h1-20H.
What are the key properties of 2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(2-phenylphenyl)-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-(4-bromonaphthalen-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 168801574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).