4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine

C28H25N3 — CID 129128255

IUPAC4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESCc1cccc(-c2cccc(C3N=C(c4ccccc4)NC(c4ccccc4)N3)c2)c1
InChIInChI=1S/C28H25N3/c1-20-10-8-15-23(18-20)24-16-9-17-25(19-24)28-30-26(21-11-4-2-5-12-21)29-27(31-28)22-13-6-3-7-14-22/h2-19,26,28,30H,1H3,(H,29,31)
InChIKeyHUYWXIQRTBLZQB-UHFFFAOYSA-N
MW403.53 g/mol
LogP6.00
Rot. Bonds4

About 4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine

4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 129128255) has the molecular formula C28H25N3 and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID129128255
Molecular FormulaC28H25N3
Molecular Weight403.53 g/mol
Exact Mass403.20
IUPAC Name4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESCc1cccc(-c2cccc(C3N=C(c4ccccc4)NC(c4ccccc4)N3)c2)c1
InChIInChI=1S/C28H25N3/c1-20-10-8-15-23(18-20)24-16-9-17-25(19-24)28-30-26(21-11-4-2-5-12-21)29-27(31-28)22-13-6-3-7-14-22/h2-19,26,28,30H,1H3,(H,29,31)
InChIKeyHUYWXIQRTBLZQB-UHFFFAOYSA-N
XLogP6.00
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 139304267
5-[3-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 145085378
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 126628162
6-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenylmethoxyphenanthren-3-amine
CID 126614523
9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 129156452
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100996
4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134198760
2-[4-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 170410069
4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166696111
2-[3-(3,5-diphenylphenyl)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]phenyl]-4-[3-(3,5-diphenylphenyl)-5-phenylphenyl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 126699625
9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-14,14-dimethyl-5-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 144956940

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 129128255) is 4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is Cc1cccc(-c2cccc(C3N=C(c4ccccc4)NC(c4ccccc4)N3)c2)c1.
What is the InChIKey of 4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is HUYWXIQRTBLZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3/c1-20-10-8-15-23(18-20)24-16-9-17-25(19-24)28-30-26(21-11-4-2-5-12-21)29-27(31-28)22-13-6-3-7-14-22/h2-19,26,28,30H,1H3,(H,29,31).
What are the key properties of 4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 403.53 g/mol, XLogP of 6.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 129128255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).