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

C51H41N5 — CID 118528442

IUPAC10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)n3)cc2)c2ccccc21
InChIInChI=1S/C51H41N5/c1-50(2)39-18-8-12-22-43(39)55(44-23-13-9-19-40(44)50)37-30-26-35(27-31-37)48-52-47(34-16-6-5-7-17-34)53-49(54-48)36-28-32-38(33-29-36)56-45-24-14-10-20-41(45)51(3,4)42-21-11-15-25-46(42)56/h5-33H,1-4H3
InChIKeyUNABHQKSLIEYAV-UHFFFAOYSA-N
MW723.92 g/mol
LogP13.09
Rot. Bonds5

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

10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine (PubChem CID 118528442) has the molecular formula C51H41N5 and a molecular weight of 723.92 g/mol. Its IUPAC name is 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
PubChem CID118528442
Molecular FormulaC51H41N5
Molecular Weight723.92 g/mol
Exact Mass723.34
IUPAC Name10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)n3)cc2)c2ccccc21
InChIInChI=1S/C51H41N5/c1-50(2)39-18-8-12-22-43(39)55(44-23-13-9-19-40(44)50)37-30-26-35(27-31-37)48-52-47(34-16-6-5-7-17-34)53-49(54-48)36-28-32-38(33-29-36)56-45-24-14-10-20-41(45)51(3,4)42-21-11-15-25-46(42)56/h5-33H,1-4H3
InChIKeyUNABHQKSLIEYAV-UHFFFAOYSA-N
XLogP13.09
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.92
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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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-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
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
2-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 172991970
9,9-dimethyl-10-[4-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]acridine
CID 168805920
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethyl-10-phenylacridine
CID 118472949
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007170
3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole
CID 121245061
10-[4-(1,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244948
10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244961
9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
CID 129037640

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine (CID 118528442) is 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)n3)cc2)c2ccccc21.
What is the InChIKey of 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine?
The InChIKey is UNABHQKSLIEYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H41N5/c1-50(2)39-18-8-12-22-43(39)55(44-23-13-9-19-40(44)50)37-30-26-35(27-31-37)48-52-47(34-16-6-5-7-17-34)53-49(54-48)36-28-32-38(33-29-36)56-45-24-14-10-20-41(45)51(3,4)42-21-11-15-25-46(42)56/h5-33H,1-4H3.
What are the key properties of 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine?
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine has a molecular weight of 723.92 g/mol, XLogP of 13.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 118528442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).