2-phenyl-4-propan-2-yl-6-triphenylen-1-yl-1,3,5-triazine

C30H23N3 — CID 165149803

IUPAC2-phenyl-4-propan-2-yl-6-triphenylen-1-yl-1,3,5-triazine
SMILESCC(C)c1nc(-c2ccccc2)nc(-c2cccc3c4ccccc4c4ccccc4c23)n1
InChIInChI=1S/C30H23N3/c1-19(2)28-31-29(20-11-4-3-5-12-20)33-30(32-28)26-18-10-17-25-23-14-7-6-13-21(23)22-15-8-9-16-24(22)27(25)26/h3-19H,1-2H3
InChIKeyJPDGWDKMPOTGAB-UHFFFAOYSA-N
MW425.54 g/mol
LogP7.79
Rot. Bonds3

About 2-phenyl-4-propan-2-yl-6-triphenylen-1-yl-1,3,5-triazine

2-phenyl-4-propan-2-yl-6-triphenylen-1-yl-1,3,5-triazine (PubChem CID 165149803) has the molecular formula C30H23N3 and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-phenyl-4-propan-2-yl-6-triphenylen-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-propan-2-yl-6-triphenylen-1-yl-1,3,5-triazine
PubChem CID165149803
Molecular FormulaC30H23N3
Molecular Weight425.54 g/mol
Exact Mass425.19
IUPAC Name2-phenyl-4-propan-2-yl-6-triphenylen-1-yl-1,3,5-triazine
SMILESCC(C)c1nc(-c2ccccc2)nc(-c2cccc3c4ccccc4c4ccccc4c23)n1
InChIInChI=1S/C30H23N3/c1-19(2)28-31-29(20-11-4-3-5-12-20)33-30(32-28)26-18-10-17-25-23-14-7-6-13-21(23)22-15-8-9-16-24(22)27(25)26/h3-19H,1-2H3
InChIKeyJPDGWDKMPOTGAB-UHFFFAOYSA-N
XLogP7.79
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155451025
2,4-bis[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 176842994
2,4-diphenyl-6-[4-[4-phenyl-6-[3-(4-phenyl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176843198
2-[3-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]phenyl]-4-[3-phenyl-4-(4-phenyl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]-6-propan-2-yl-1,3,5-triazine
CID 176842988
2-(7-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4,6-diphenyl-1,3,5-triazine
CID 167087547
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
CID 138599849
2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-propan-2-yl-1,3,5-triazine
CID 166501233
2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
CID 167087403
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-propan-2-yl-1,3,5-triazine
CID 159185452
2-[3-[3-(6-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 167412455
2-(6-chlorodibenzofuran-1-yl)-4-phenyl-6-triphenylen-1-yl-1,3,5-triazine
CID 147180477
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenanthro[9,10-d][1,3]thiazole
CID 163737233

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-propan-2-yl-6-triphenylen-1-yl-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-propan-2-yl-6-triphenylen-1-yl-1,3,5-triazine (CID 165149803) is 2-phenyl-4-propan-2-yl-6-triphenylen-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-propan-2-yl-6-triphenylen-1-yl-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-propan-2-yl-6-triphenylen-1-yl-1,3,5-triazine is CC(C)c1nc(-c2ccccc2)nc(-c2cccc3c4ccccc4c4ccccc4c23)n1.
What is the InChIKey of 2-phenyl-4-propan-2-yl-6-triphenylen-1-yl-1,3,5-triazine?
The InChIKey is JPDGWDKMPOTGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3/c1-19(2)28-31-29(20-11-4-3-5-12-20)33-30(32-28)26-18-10-17-25-23-14-7-6-13-21(23)22-15-8-9-16-24(22)27(25)26/h3-19H,1-2H3.
What are the key properties of 2-phenyl-4-propan-2-yl-6-triphenylen-1-yl-1,3,5-triazine?
2-phenyl-4-propan-2-yl-6-triphenylen-1-yl-1,3,5-triazine has a molecular weight of 425.54 g/mol, XLogP of 7.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-propan-2-yl-6-triphenylen-1-yl-1,3,5-triazine is sourced from PubChem (CID 165149803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).