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

C47H30BrN3 — CID 129227928

IUPAC2-[4-[1-(2-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESBrc1ccc2ccccc2c1-c1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)ccc2ccccc12
InChIInChI=1S/C47H30BrN3/c48-42-30-28-34-14-8-10-18-40(34)44(42)43-39-17-9-7-13-33(39)27-29-41(43)35-21-25-38(26-22-35)47-50-45(36-15-5-2-6-16-36)49-46(51-47)37-23-19-32(20-24-37)31-11-3-1-4-12-31/h1-30H
InChIKeyAABHPAWUMJSGBK-UHFFFAOYSA-N
MW716.68 g/mol
LogP12.94
Rot. Bonds6

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

2-[4-[1-(2-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 129227928) has the molecular formula C47H30BrN3 and a molecular weight of 716.68 g/mol. Its IUPAC name is 2-[4-[1-(2-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[1-(2-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID129227928
Molecular FormulaC47H30BrN3
Molecular Weight716.68 g/mol
Exact Mass715.16
IUPAC Name2-[4-[1-(2-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESBrc1ccc2ccccc2c1-c1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)ccc2ccccc12
InChIInChI=1S/C47H30BrN3/c48-42-30-28-34-14-8-10-18-40(34)44(42)43-39-17-9-7-13-33(39)27-29-41(43)35-21-25-38(26-22-35)47-50-45(36-15-5-2-6-16-36)49-46(51-47)37-23-19-32(20-24-37)31-11-3-1-4-12-31/h1-30H
InChIKeyAABHPAWUMJSGBK-UHFFFAOYSA-N
XLogP12.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.68
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[1-(2-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-[1-(2-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 129227928) is 2-[4-[1-(2-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[1-(2-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-[1-(2-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is Brc1ccc2ccccc2c1-c1c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)ccc2ccccc12.
What is the InChIKey of 2-[4-[1-(2-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is AABHPAWUMJSGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30BrN3/c48-42-30-28-34-14-8-10-18-40(34)44(42)43-39-17-9-7-13-33(39)27-29-41(43)35-21-25-38(26-22-35)47-50-45(36-15-5-2-6-16-36)49-46(51-47)37-23-19-32(20-24-37)31-11-3-1-4-12-31/h1-30H.
What are the key properties of 2-[4-[1-(2-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[4-[1-(2-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 716.68 g/mol, XLogP of 12.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-bromonaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 129227928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).