2-phenyl-4-(7,10,10-trimethylbenzo[a]azulen-7-yl)-1,3,5-triazine

C26H23N3 — CID 167268597

IUPAC2-phenyl-4-(7,10,10-trimethylbenzo[a]azulen-7-yl)-1,3,5-triazine
SMILESCC1(c2ncnc(-c3ccccc3)n2)C=CC2=C(C=C1)C(C)(C)c1ccccc12
InChIInChI=1S/C26H23N3/c1-25(2)21-12-8-7-11-19(21)20-13-15-26(3,16-14-22(20)25)24-28-17-27-23(29-24)18-9-5-4-6-10-18/h4-17H,1-3H3
InChIKeyGYSJVJOYJCVEAZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP5.67
Rot. Bonds2

About 2-phenyl-4-(7,10,10-trimethylbenzo[a]azulen-7-yl)-1,3,5-triazine

2-phenyl-4-(7,10,10-trimethylbenzo[a]azulen-7-yl)-1,3,5-triazine (PubChem CID 167268597) has the molecular formula C26H23N3 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-phenyl-4-(7,10,10-trimethylbenzo[a]azulen-7-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(7,10,10-trimethylbenzo[a]azulen-7-yl)-1,3,5-triazine
PubChem CID167268597
Molecular FormulaC26H23N3
Molecular Weight377.49 g/mol
Exact Mass377.19
IUPAC Name2-phenyl-4-(7,10,10-trimethylbenzo[a]azulen-7-yl)-1,3,5-triazine
SMILESCC1(c2ncnc(-c3ccccc3)n2)C=CC2=C(C=C1)C(C)(C)c1ccccc12
InChIInChI=1S/C26H23N3/c1-25(2)21-12-8-7-11-19(21)20-13-15-26(3,16-14-22(20)25)24-28-17-27-23(29-24)18-9-5-4-6-10-18/h4-17H,1-3H3
InChIKeyGYSJVJOYJCVEAZ-UHFFFAOYSA-N
XLogP5.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine
CID 118245468
2-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 118245460
2-[3-[9-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[9-[3,5-bis(4-phenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-yl]-5-(4-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1,3,5-triazine;2-[3-[9-[3,5-bis(1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-yl]-5-(1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine
CID 160850725
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264972
2-(4-chloro-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 175634418
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine
CID 172774010
2-(9-methylfluoren-9-yl)-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821194
CID 158164242
CID 158164242

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(7,10,10-trimethylbenzo[a]azulen-7-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(7,10,10-trimethylbenzo[a]azulen-7-yl)-1,3,5-triazine (CID 167268597) is 2-phenyl-4-(7,10,10-trimethylbenzo[a]azulen-7-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(7,10,10-trimethylbenzo[a]azulen-7-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(7,10,10-trimethylbenzo[a]azulen-7-yl)-1,3,5-triazine is CC1(c2ncnc(-c3ccccc3)n2)C=CC2=C(C=C1)C(C)(C)c1ccccc12.
What is the InChIKey of 2-phenyl-4-(7,10,10-trimethylbenzo[a]azulen-7-yl)-1,3,5-triazine?
The InChIKey is GYSJVJOYJCVEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3/c1-25(2)21-12-8-7-11-19(21)20-13-15-26(3,16-14-22(20)25)24-28-17-27-23(29-24)18-9-5-4-6-10-18/h4-17H,1-3H3.
What are the key properties of 2-phenyl-4-(7,10,10-trimethylbenzo[a]azulen-7-yl)-1,3,5-triazine?
2-phenyl-4-(7,10,10-trimethylbenzo[a]azulen-7-yl)-1,3,5-triazine has a molecular weight of 377.49 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(7,10,10-trimethylbenzo[a]azulen-7-yl)-1,3,5-triazine is sourced from PubChem (CID 167268597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).