8-[4-[4-(4-isoquinolin-8-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline

C45H29N5 — CID 169066562

IUPAC8-[4-[4-(4-isoquinolin-8-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6ccncc56)cc4)nc(-c4ccc(-c5cccc6cccnc56)cc4)n3)cc2)cc1
InChIInChI=1S/C45H29N5/c1-2-7-30(8-3-1)31-14-20-36(21-15-31)43-48-44(37-22-16-33(17-23-37)39-12-4-9-32-26-28-46-29-41(32)39)50-45(49-43)38-24-18-34(19-25-38)40-13-5-10-35-11-6-27-47-42(35)40/h1-29H
InChIKeyQUIAECRKBVTKRX-UHFFFAOYSA-N
MW639.76 g/mol
LogP10.97
Rot. Bonds6

About 8-[4-[4-(4-isoquinolin-8-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline

8-[4-[4-(4-isoquinolin-8-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline (PubChem CID 169066562) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 8-[4-[4-(4-isoquinolin-8-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[4-(4-isoquinolin-8-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
PubChem CID169066562
Molecular FormulaC45H29N5
Molecular Weight639.76 g/mol
Exact Mass639.24
IUPAC Name8-[4-[4-(4-isoquinolin-8-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6ccncc56)cc4)nc(-c4ccc(-c5cccc6cccnc56)cc4)n3)cc2)cc1
InChIInChI=1S/C45H29N5/c1-2-7-30(8-3-1)31-14-20-36(21-15-31)43-48-44(37-22-16-33(17-23-37)39-12-4-9-32-26-28-46-29-41(32)39)50-45(49-43)38-24-18-34(19-25-38)40-13-5-10-35-11-6-27-47-42(35)40/h1-29H
InChIKeyQUIAECRKBVTKRX-UHFFFAOYSA-N
XLogP10.97
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402277
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline;8-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 159550988
8-[4-[4-(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 130263319
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 152912532
7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline
CID 155792694
2-[4-[4,6-bis(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(4-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 160937402
mercury;8-phenylquinoline;hydrate
CID 174770535
7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 153156483
8-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]isoquinoline
CID 147064313
1-(4-isoquinolin-4-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-5-ylphenyl)-3-phenylbenzo[f]quinoline;1-(4-isoquinolin-8-ylphenyl)-3-phenylbenzo[f]quinoline;3-phenyl-1-(4-quinolin-8-ylphenyl)benzo[f]quinoline
CID 159276112

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(4-isoquinolin-8-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The IUPAC name of 8-[4-[4-(4-isoquinolin-8-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline (CID 169066562) is 8-[4-[4-(4-isoquinolin-8-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[4-(4-isoquinolin-8-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The canonical SMILES for 8-[4-[4-(4-isoquinolin-8-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6ccncc56)cc4)nc(-c4ccc(-c5cccc6cccnc56)cc4)n3)cc2)cc1.
What is the InChIKey of 8-[4-[4-(4-isoquinolin-8-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The InChIKey is QUIAECRKBVTKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-2-7-30(8-3-1)31-14-20-36(21-15-31)43-48-44(37-22-16-33(17-23-37)39-12-4-9-32-26-28-46-29-41(32)39)50-45(49-43)38-24-18-34(19-25-38)40-13-5-10-35-11-6-27-47-42(35)40/h1-29H.
What are the key properties of 8-[4-[4-(4-isoquinolin-8-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline?
8-[4-[4-(4-isoquinolin-8-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline has a molecular weight of 639.76 g/mol, XLogP of 10.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(4-isoquinolin-8-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline is sourced from PubChem (CID 169066562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).