10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine

C35H28N4 — CID 121244961

IUPAC10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nn3-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C35H28N4/c1-35(2)29-17-9-11-19-31(29)38(32-20-12-10-18-30(32)35)27-23-21-26(22-24-27)34-36-33(25-13-5-3-6-14-25)37-39(34)28-15-7-4-8-16-28/h3-24H,1-2H3
InChIKeyITBSKIJLOYUJDR-UHFFFAOYSA-N
MW504.64 g/mol
LogP8.71
Rot. Bonds4

About 10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine

10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine (PubChem CID 121244961) has the molecular formula C35H28N4 and a molecular weight of 504.64 g/mol. Its IUPAC name is 10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
PubChem CID121244961
Molecular FormulaC35H28N4
Molecular Weight504.64 g/mol
Exact Mass504.23
IUPAC Name10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nn3-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C35H28N4/c1-35(2)29-17-9-11-19-31(29)38(32-20-12-10-18-30(32)35)27-23-21-26(22-24-27)34-36-33(25-13-5-3-6-14-25)37-39(34)28-15-7-4-8-16-28/h3-24H,1-2H3
InChIKeyITBSKIJLOYUJDR-UHFFFAOYSA-N
XLogP8.71
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.64
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[4-(1,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244948
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
5-[4-(1,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-ethylphenazine
CID 121244864
10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5,5-diphenylphenothiazine
CID 121244953
9,9-dimethyl-10-[4-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]acridine
CID 168805920
3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole
CID 121245061
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
CID 129037640
2-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 172991970
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethyl-10-phenylacridine
CID 118472949
10-[4-[5-cyclohexa-2,4-dien-1-yl-1-[4-(9,9-dimethylacridin-10-yl)phenyl]-1,2,4-triazol-3-yl]phenyl]-9,9-dimethylacridine
CID 145050381

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine (CID 121244961) is 10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nn3-c3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine?
The InChIKey is ITBSKIJLOYUJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N4/c1-35(2)29-17-9-11-19-31(29)38(32-20-12-10-18-30(32)35)27-23-21-26(22-24-27)34-36-33(25-13-5-3-6-14-25)37-39(34)28-15-7-4-8-16-28/h3-24H,1-2H3.
What are the key properties of 10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine?
10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine has a molecular weight of 504.64 g/mol, XLogP of 8.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 121244961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).