10-[6-(9,9-dimethylacridin-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-benzothiophen-7-yl]-9,9-dimethylacridine

C53H41N5S — CID 138615953

IUPAC10-[6-(9,9-dimethylacridin-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-benzothiophen-7-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)sc3c2N2c3ccccc3C(C)(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C53H41N5S/c1-52(2)37-23-11-15-27-41(37)57(42-28-16-12-24-38(42)52)45-32-31-36-33-46(51-55-49(34-19-7-5-8-20-34)54-50(56-51)35-21-9-6-10-22-35)59-48(36)47(45)58-43-29-17-13-25-39(43)53(3,4)40-26-14-18-30-44(40)58/h5-33H,1-4H3
InChIKeyFKBCHNYABHWRQN-UHFFFAOYSA-N
MW780.01 g/mol
LogP14.31
Rot. Bonds5

About 10-[6-(9,9-dimethylacridin-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-benzothiophen-7-yl]-9,9-dimethylacridine

10-[6-(9,9-dimethylacridin-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-benzothiophen-7-yl]-9,9-dimethylacridine (PubChem CID 138615953) has the molecular formula C53H41N5S and a molecular weight of 780.01 g/mol. Its IUPAC name is 10-[6-(9,9-dimethylacridin-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-benzothiophen-7-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[6-(9,9-dimethylacridin-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-benzothiophen-7-yl]-9,9-dimethylacridine
PubChem CID138615953
Molecular FormulaC53H41N5S
Molecular Weight780.01 g/mol
Exact Mass779.31
IUPAC Name10-[6-(9,9-dimethylacridin-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-benzothiophen-7-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)sc3c2N2c3ccccc3C(C)(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C53H41N5S/c1-52(2)37-23-11-15-27-41(37)57(42-28-16-12-24-38(42)52)45-32-31-36-33-46(51-55-49(34-19-7-5-8-20-34)54-50(56-51)35-21-9-6-10-22-35)59-48(36)47(45)58-43-29-17-13-25-39(43)53(3,4)40-26-14-18-30-44(40)58/h5-33H,1-4H3
InChIKeyFKBCHNYABHWRQN-UHFFFAOYSA-N
XLogP14.31
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.01
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine
CID 153287580
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine
CID 129290633
21-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10,14,14-tetramethyl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 67472159
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
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007170
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-2-yl]-9,9-dimethyl-10-phenylacridine
CID 134578950
3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole
CID 121245061

Frequently Asked Questions

What is the IUPAC name of 10-[6-(9,9-dimethylacridin-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-benzothiophen-7-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[6-(9,9-dimethylacridin-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-benzothiophen-7-yl]-9,9-dimethylacridine (CID 138615953) is 10-[6-(9,9-dimethylacridin-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-benzothiophen-7-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[6-(9,9-dimethylacridin-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-benzothiophen-7-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[6-(9,9-dimethylacridin-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-benzothiophen-7-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)sc3c2N2c3ccccc3C(C)(C)c3ccccc32)c2ccccc21.
What is the InChIKey of 10-[6-(9,9-dimethylacridin-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-benzothiophen-7-yl]-9,9-dimethylacridine?
The InChIKey is FKBCHNYABHWRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41N5S/c1-52(2)37-23-11-15-27-41(37)57(42-28-16-12-24-38(42)52)45-32-31-36-33-46(51-55-49(34-19-7-5-8-20-34)54-50(56-51)35-21-9-6-10-22-35)59-48(36)47(45)58-43-29-17-13-25-39(43)53(3,4)40-26-14-18-30-44(40)58/h5-33H,1-4H3.
What are the key properties of 10-[6-(9,9-dimethylacridin-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-benzothiophen-7-yl]-9,9-dimethylacridine?
10-[6-(9,9-dimethylacridin-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-benzothiophen-7-yl]-9,9-dimethylacridine has a molecular weight of 780.01 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(9,9-dimethylacridin-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-benzothiophen-7-yl]-9,9-dimethylacridine is sourced from PubChem (CID 138615953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).