10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine

C57H45N5 — CID 118528452

IUPAC10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc(N3c4ccccc4C(C)(C)c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C57H45N5/c1-56(2)45-23-11-15-27-49(45)61(50-28-16-12-24-46(50)56)43-35-42(36-44(37-43)62-51-29-17-13-25-47(51)57(3,4)48-26-14-18-30-52(48)62)55-59-53(40-21-9-6-10-22-40)58-54(60-55)41-33-31-39(32-34-41)38-19-7-5-8-20-38/h5-37H,1-4H3
InChIKeyUWELEXKSLWNCNW-UHFFFAOYSA-N
MW800.02 g/mol
LogP14.76
Rot. Bonds6

About 10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine

10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine (PubChem CID 118528452) has the molecular formula C57H45N5 and a molecular weight of 800.02 g/mol. Its IUPAC name is 10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
PubChem CID118528452
Molecular FormulaC57H45N5
Molecular Weight800.02 g/mol
Exact Mass799.37
IUPAC Name10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc(N3c4ccccc4C(C)(C)c4ccccc43)c2)c2ccccc21
InChIInChI=1S/C57H45N5/c1-56(2)45-23-11-15-27-49(45)61(50-28-16-12-24-46(50)56)43-35-42(36-44(37-43)62-51-29-17-13-25-47(51)57(3,4)48-26-14-18-30-52(48)62)55-59-53(40-21-9-6-10-22-40)58-54(60-55)41-33-31-39(32-34-41)38-19-7-5-8-20-38/h5-37H,1-4H3
InChIKeyUWELEXKSLWNCNW-UHFFFAOYSA-N
XLogP14.76
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.02
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethyl-10-phenylacridine
CID 118472949
9,9-dimethyl-10-[4-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]acridine
CID 168805920
10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine
CID 168836599
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
2-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 172991970
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007170
10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-3-yl]-9,9-dimethylacridine
CID 153150378
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-[4-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;9,9-dimethyl-10-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]acridine;10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 157103657
4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline
CID 89183043

Frequently Asked Questions

What is the IUPAC name of 10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine (CID 118528452) is 10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc(N3c4ccccc4C(C)(C)c4ccccc43)c2)c2ccccc21.
What is the InChIKey of 10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine?
The InChIKey is UWELEXKSLWNCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H45N5/c1-56(2)45-23-11-15-27-49(45)61(50-28-16-12-24-46(50)56)43-35-42(36-44(37-43)62-51-29-17-13-25-47(51)57(3,4)48-26-14-18-30-52(48)62)55-59-53(40-21-9-6-10-22-40)58-54(60-55)41-33-31-39(32-34-41)38-19-7-5-8-20-38/h5-37H,1-4H3.
What are the key properties of 10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine?
10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine has a molecular weight of 800.02 g/mol, XLogP of 14.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 118528452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).