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

C47H30BrN3 — CID 129227924

IUPAC2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESBrc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C47H30BrN3/c48-44-30-29-42(40-17-9-10-18-43(40)44)41-28-27-37(38-15-7-8-16-39(38)41)33-21-25-36(26-22-33)47-50-45(34-13-5-2-6-14-34)49-46(51-47)35-23-19-32(20-24-35)31-11-3-1-4-12-31/h1-30H
InChIKeyDHRLLELDCFSRPH-UHFFFAOYSA-N
MW716.68 g/mol
LogP12.94
Rot. Bonds6

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

2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 129227924) has the molecular formula C47H30BrN3 and a molecular weight of 716.68 g/mol. Its IUPAC name is 2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID129227924
Molecular FormulaC47H30BrN3
Molecular Weight716.68 g/mol
Exact Mass715.16
IUPAC Name2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESBrc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c3ccccc23)c2ccccc12
InChIInChI=1S/C47H30BrN3/c48-44-30-29-42(40-17-9-10-18-43(40)44)41-28-27-37(38-15-7-8-16-39(38)41)33-21-25-36(26-22-33)47-50-45(34-13-5-2-6-14-34)49-46(51-47)35-23-19-32(20-24-35)31-11-3-1-4-12-31/h1-30H
InChIKeyDHRLLELDCFSRPH-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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 129227924) is 2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is Brc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c3ccccc23)c2ccccc12.
What is the InChIKey of 2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is DHRLLELDCFSRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30BrN3/c48-44-30-29-42(40-17-9-10-18-43(40)44)41-28-27-37(38-15-7-8-16-39(38)41)33-21-25-36(26-22-33)47-50-45(34-13-5-2-6-14-34)49-46(51-47)35-23-19-32(20-24-35)31-11-3-1-4-12-31/h1-30H.
What are the key properties of 2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[4-[4-(4-bromonaphthalen-1-yl)naphthalen-1-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-[4-(4-bromonaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 129227924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).