5-[5-[4,6-bis(4-propan-2-ylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole

C39H43N5 — CID 130376275

IUPAC5-[5-[4,6-bis(4-propan-2-ylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole
SMILESCC(C)c1ccc(-c2nc(-c3ccc(C(C)C)cc3)nc(-c3ccc(-c4ccc5c(c4)C(C)(C)N(C)C5(C)C)nc3)n2)cc1
InChIInChI=1S/C39H43N5/c1-24(2)26-10-14-28(15-11-26)35-41-36(29-16-12-27(13-17-29)25(3)4)43-37(42-35)31-19-21-34(40-23-31)30-18-20-32-33(22-30)39(7,8)44(9)38(32,5)6/h10-25H,1-9H3
InChIKeyYXAZKOIFUWOZNZ-UHFFFAOYSA-N
MW581.81 g/mol
LogP9.60
Rot. Bonds6

About 5-[5-[4,6-bis(4-propan-2-ylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole

5-[5-[4,6-bis(4-propan-2-ylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole (PubChem CID 130376275) has the molecular formula C39H43N5 and a molecular weight of 581.81 g/mol. Its IUPAC name is 5-[5-[4,6-bis(4-propan-2-ylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole.

Molecular Properties

Compound Name5-[5-[4,6-bis(4-propan-2-ylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole
PubChem CID130376275
Molecular FormulaC39H43N5
Molecular Weight581.81 g/mol
Exact Mass581.35
IUPAC Name5-[5-[4,6-bis(4-propan-2-ylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole
SMILESCC(C)c1ccc(-c2nc(-c3ccc(C(C)C)cc3)nc(-c3ccc(-c4ccc5c(c4)C(C)(C)N(C)C5(C)C)nc3)n2)cc1
InChIInChI=1S/C39H43N5/c1-24(2)26-10-14-28(15-11-26)35-41-36(29-16-12-27(13-17-29)25(3)4)43-37(42-35)31-19-21-34(40-23-31)30-18-20-32-33(22-30)39(7,8)44(9)38(32,5)6/h10-25H,1-9H3
InChIKeyYXAZKOIFUWOZNZ-UHFFFAOYSA-N
XLogP9.60
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.81
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(4,6-difluoro-1,3,5-triazin-2-yl)-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole
CID 118857310
2-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-4,6-bis(4-propan-2-ylphenyl)-1,3,5-triazine;iridium
CID 140826696
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4,6-dimethylpyrimidine
CID 118857218
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine
CID 118857536
2-[6-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-3-pyridinyl]-4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 130376269
2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine-4,6-dicarbonitrile
CID 118857250
2-(4-tert-butylphenyl)-4-[4-(2-methylbutan-2-yl)phenyl]-6-[6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]-1,3,5-triazine
CID 138461260
2,4-ditert-butyl-6-[4-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]-1,3,5-triazine
CID 140826343
2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]pyrimidine
CID 140826425
2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(propan-2-yl)-1,3,5-triazine
CID 122487809
5-(3,3-dimethylbutan-2-yl)-2-(4-propan-2-ylphenyl)pyridine;ethane
CID 169257531
2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 146632433

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4,6-bis(4-propan-2-ylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole?
The IUPAC name of 5-[5-[4,6-bis(4-propan-2-ylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole (CID 130376275) is 5-[5-[4,6-bis(4-propan-2-ylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole.
What is the SMILES notation for 5-[5-[4,6-bis(4-propan-2-ylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole?
The canonical SMILES for 5-[5-[4,6-bis(4-propan-2-ylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole is CC(C)c1ccc(-c2nc(-c3ccc(C(C)C)cc3)nc(-c3ccc(-c4ccc5c(c4)C(C)(C)N(C)C5(C)C)nc3)n2)cc1.
What is the InChIKey of 5-[5-[4,6-bis(4-propan-2-ylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole?
The InChIKey is YXAZKOIFUWOZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43N5/c1-24(2)26-10-14-28(15-11-26)35-41-36(29-16-12-27(13-17-29)25(3)4)43-37(42-35)31-19-21-34(40-23-31)30-18-20-32-33(22-30)39(7,8)44(9)38(32,5)6/h10-25H,1-9H3.
What are the key properties of 5-[5-[4,6-bis(4-propan-2-ylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole?
5-[5-[4,6-bis(4-propan-2-ylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole has a molecular weight of 581.81 g/mol, XLogP of 9.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4,6-bis(4-propan-2-ylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-1,1,2,3,3-pentamethylisoindole is sourced from PubChem (CID 130376275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).