2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one

C148H108N12O4 — CID 157199940

IUPAC2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one
SMILESCC1(C)c2ccccc2C(=O)c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc21.CC1(C)c2ccccc2C(=O)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc21.CC1(C)c2ccccc2C(=O)c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.CC1(C)c2ccccc2C(=O)c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc21
InChIInChI=1S/4C37H27N3O/c1-37(2)31-20-12-11-19-29(31)33(41)30-23-26(21-22-32(30)37)27-17-9-10-18-28(27)36-39-34(24-13-5-3-6-14-24)38-35(40-36)25-15-7-4-8-16-25;1-37(2)31-19-10-9-18-29(31)33(41)30-23-27(20-21-32(30)37)26-16-11-17-28(22-26)36-39-34(24-12-5-3-6-13-24)38-35(40-36)25-14-7-4-8-15-25;1-37(2)31-16-10-9-15-29(31)33(41)30-23-28(21-22-32(30)37)24-17-19-27(20-18-24)36-39-34(25-11-5-3-6-12-25)38-35(40-36)26-13-7-4-8-14-26;1-37(2)31-16-10-9-15-29(31)33(41)30-22-21-28(23-32(30)37)24-17-19-27(20-18-24)36-39-34(25-11-5-3-6-12-25)38-35(40-36)26-13-7-4-8-14-26/h4*3-23H,1-2H3
InChIKeyAQRJZMDAVWQRBU-UHFFFAOYSA-N
MW2118.57 g/mol
LogP33.64
Rot. Bonds16

About 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one

2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one (PubChem CID 157199940) has the molecular formula C148H108N12O4 and a molecular weight of 2118.57 g/mol. Its IUPAC name is 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one.

Molecular Properties

Compound Name2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one
PubChem CID157199940
Molecular FormulaC148H108N12O4
Molecular Weight2118.57 g/mol
Exact Mass2116.86
IUPAC Name2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one
SMILESCC1(C)c2ccccc2C(=O)c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc21.CC1(C)c2ccccc2C(=O)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc21.CC1(C)c2ccccc2C(=O)c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.CC1(C)c2ccccc2C(=O)c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc21
InChIInChI=1S/4C37H27N3O/c1-37(2)31-20-12-11-19-29(31)33(41)30-23-26(21-22-32(30)37)27-17-9-10-18-28(27)36-39-34(24-13-5-3-6-14-24)38-35(40-36)25-15-7-4-8-16-25;1-37(2)31-19-10-9-18-29(31)33(41)30-23-27(20-21-32(30)37)26-16-11-17-28(22-26)36-39-34(24-12-5-3-6-13-24)38-35(40-36)25-14-7-4-8-15-25;1-37(2)31-16-10-9-15-29(31)33(41)30-23-28(21-22-32(30)37)24-17-19-27(20-18-24)36-39-34(25-11-5-3-6-12-25)38-35(40-36)26-13-7-4-8-14-26;1-37(2)31-16-10-9-15-29(31)33(41)30-22-21-28(23-32(30)37)24-17-19-27(20-18-24)36-39-34(25-11-5-3-6-12-25)38-35(40-36)26-13-7-4-8-14-26/h4*3-23H,1-2H3
InChIKeyAQRJZMDAVWQRBU-UHFFFAOYSA-N
XLogP33.64
TPSA222.96 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms164
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002118.57
LogP ≤ 533.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one?
The IUPAC name of 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one (CID 157199940) is 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one.
What is the SMILES notation for 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one?
The canonical SMILES for 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one is CC1(C)c2ccccc2C(=O)c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc21.CC1(C)c2ccccc2C(=O)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc21.CC1(C)c2ccccc2C(=O)c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.CC1(C)c2ccccc2C(=O)c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc21.
What is the InChIKey of 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one?
The InChIKey is AQRJZMDAVWQRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C37H27N3O/c1-37(2)31-20-12-11-19-29(31)33(41)30-23-26(21-22-32(30)37)27-17-9-10-18-28(27)36-39-34(24-13-5-3-6-14-24)38-35(40-36)25-15-7-4-8-16-25;1-37(2)31-19-10-9-18-29(31)33(41)30-23-27(20-21-32(30)37)26-16-11-17-28(22-26)36-39-34(24-12-5-3-6-13-24)38-35(40-36)25-14-7-4-8-15-25;1-37(2)31-16-10-9-15-29(31)33(41)30-23-28(21-22-32(30)37)24-17-19-27(20-18-24)36-39-34(25-11-5-3-6-12-25)38-35(40-36)26-13-7-4-8-14-26;1-37(2)31-16-10-9-15-29(31)33(41)30-22-21-28(23-32(30)37)24-17-19-27(20-18-24)36-39-34(25-11-5-3-6-12-25)38-35(40-36)26-13-7-4-8-14-26/h4*3-23H,1-2H3.
What are the key properties of 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one?
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one has a molecular weight of 2118.57 g/mol, XLogP of 33.64, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one is sourced from PubChem (CID 157199940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).