8-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline

C24H15ClN4 — CID 147064313

IUPAC8-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline
SMILESClc1nc(-c2ccccc2)nc(-c2cccc(-c3cccc4ccncc34)c2)n1
InChIInChI=1S/C24H15ClN4/c25-24-28-22(17-6-2-1-3-7-17)27-23(29-24)19-10-4-9-18(14-19)20-11-5-8-16-12-13-26-15-21(16)20/h1-15H
InChIKeyBDTRVQPZWJNISP-UHFFFAOYSA-N
MW394.87 g/mol
LogP6.07
Rot. Bonds3

About 8-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline

8-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline (PubChem CID 147064313) has the molecular formula C24H15ClN4 and a molecular weight of 394.87 g/mol. Its IUPAC name is 8-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline.

Molecular Properties

Compound Name8-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline
PubChem CID147064313
Molecular FormulaC24H15ClN4
Molecular Weight394.87 g/mol
Exact Mass394.10
IUPAC Name8-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline
SMILESClc1nc(-c2ccccc2)nc(-c2cccc(-c3cccc4ccncc34)c2)n1
InChIInChI=1S/C24H15ClN4/c25-24-28-22(17-6-2-1-3-7-17)27-23(29-24)19-10-4-9-18(14-19)20-11-5-8-16-12-13-26-15-21(16)20/h1-15H
InChIKeyBDTRVQPZWJNISP-UHFFFAOYSA-N
XLogP6.07
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.87
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177076801
2-chloro-4-phenyl-6-[3-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 177283386
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
8-[4-[4-(4-isoquinolin-8-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 169066562
7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-h]isoquinoline
CID 174288450
2-chloro-4-(3-naphthalen-1-ylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171730934
2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 177278821
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-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-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-[2-(2-phenylphenyl)phenyl]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-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158640936
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-naphthalen-1-ylphenyl)phenyl]benzo[c][2,7]naphthyridine
CID 129201394
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
2-[8-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244524
8-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]isoquinoline
CID 155792731

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline?
The IUPAC name of 8-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline (CID 147064313) is 8-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline.
What is the SMILES notation for 8-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline?
The canonical SMILES for 8-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline is Clc1nc(-c2ccccc2)nc(-c2cccc(-c3cccc4ccncc34)c2)n1.
What is the InChIKey of 8-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline?
The InChIKey is BDTRVQPZWJNISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN4/c25-24-28-22(17-6-2-1-3-7-17)27-23(29-24)19-10-4-9-18(14-19)20-11-5-8-16-12-13-26-15-21(16)20/h1-15H.
What are the key properties of 8-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline?
8-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline has a molecular weight of 394.87 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline is sourced from PubChem (CID 147064313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).