10-[2-[2-[2-(9,9-dimethyl-2,3-dihydroacridin-10-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-methylphenyl]-9,9-dimethylacridine

C52H47N5 — CID 155480067

IUPAC10-[2-[2-[2-(9,9-dimethyl-2,3-dihydroacridin-10-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-methylphenyl]-9,9-dimethylacridine
SMILESCc1cccc(C2N=C(c3ccccc3)NC(c3ccccc3N3C4=CCCC=C4C(C)(C)c4ccccc43)=N2)c1N1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C52H47N5/c1-34-20-19-24-37(47(34)57-45-32-17-12-27-40(45)52(4,5)41-28-13-18-33-46(41)57)50-54-48(35-21-7-6-8-22-35)53-49(55-50)36-23-9-14-29-42(36)56-43-30-15-10-25-38(43)51(2,3)39-26-11-16-31-44(39)56/h6-10,12-15,17-33,50H,11,16H2,1-5H3,(H,53,54,55)
InChIKeyVRYUGGGMWFNPSU-UHFFFAOYSA-N
MW741.98 g/mol
LogP12.63
Rot. Bonds5

About 10-[2-[2-[2-(9,9-dimethyl-2,3-dihydroacridin-10-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-methylphenyl]-9,9-dimethylacridine

10-[2-[2-[2-(9,9-dimethyl-2,3-dihydroacridin-10-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-methylphenyl]-9,9-dimethylacridine (PubChem CID 155480067) has the molecular formula C52H47N5 and a molecular weight of 741.98 g/mol. Its IUPAC name is 10-[2-[2-[2-(9,9-dimethyl-2,3-dihydroacridin-10-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-methylphenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[2-[2-[2-(9,9-dimethyl-2,3-dihydroacridin-10-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-methylphenyl]-9,9-dimethylacridine
PubChem CID155480067
Molecular FormulaC52H47N5
Molecular Weight741.98 g/mol
Exact Mass741.38
IUPAC Name10-[2-[2-[2-(9,9-dimethyl-2,3-dihydroacridin-10-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-methylphenyl]-9,9-dimethylacridine
SMILESCc1cccc(C2N=C(c3ccccc3)NC(c3ccccc3N3C4=CCCC=C4C(C)(C)c4ccccc43)=N2)c1N1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C52H47N5/c1-34-20-19-24-37(47(34)57-45-32-17-12-27-40(45)52(4,5)41-28-13-18-33-46(41)57)50-54-48(35-21-7-6-8-22-35)53-49(55-50)36-23-9-14-29-42(36)56-43-30-15-10-25-38(43)51(2,3)39-26-11-16-31-44(39)56/h6-10,12-15,17-33,50H,11,16H2,1-5H3,(H,53,54,55)
InChIKeyVRYUGGGMWFNPSU-UHFFFAOYSA-N
XLogP12.63
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.98
LogP ≤ 512.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 10-[2-[2-[2-(9,9-dimethyl-2,3-dihydroacridin-10-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-methylphenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[2-[2-[2-(9,9-dimethyl-2,3-dihydroacridin-10-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-methylphenyl]-9,9-dimethylacridine (CID 155480067) is 10-[2-[2-[2-(9,9-dimethyl-2,3-dihydroacridin-10-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-methylphenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[2-[2-[2-(9,9-dimethyl-2,3-dihydroacridin-10-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-methylphenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[2-[2-[2-(9,9-dimethyl-2,3-dihydroacridin-10-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-methylphenyl]-9,9-dimethylacridine is Cc1cccc(C2N=C(c3ccccc3)NC(c3ccccc3N3C4=CCCC=C4C(C)(C)c4ccccc43)=N2)c1N1c2ccccc2C(C)(C)c2ccccc21.
What is the InChIKey of 10-[2-[2-[2-(9,9-dimethyl-2,3-dihydroacridin-10-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-methylphenyl]-9,9-dimethylacridine?
The InChIKey is VRYUGGGMWFNPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H47N5/c1-34-20-19-24-37(47(34)57-45-32-17-12-27-40(45)52(4,5)41-28-13-18-33-46(41)57)50-54-48(35-21-7-6-8-22-35)53-49(55-50)36-23-9-14-29-42(36)56-43-30-15-10-25-38(43)51(2,3)39-26-11-16-31-44(39)56/h6-10,12-15,17-33,50H,11,16H2,1-5H3,(H,53,54,55).
What are the key properties of 10-[2-[2-[2-(9,9-dimethyl-2,3-dihydroacridin-10-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-methylphenyl]-9,9-dimethylacridine?
10-[2-[2-[2-(9,9-dimethyl-2,3-dihydroacridin-10-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-methylphenyl]-9,9-dimethylacridine has a molecular weight of 741.98 g/mol, XLogP of 12.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[2-[2-(9,9-dimethyl-2,3-dihydroacridin-10-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-methylphenyl]-9,9-dimethylacridine is sourced from PubChem (CID 155480067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).