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

C41H34N4 — CID 138615947

IUPAC10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethylinden-1-yl]-9,9-dimethylacridine
SMILESCC1(C)C=C(N2c3ccccc3C(C)(C)c3ccccc32)c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C41H34N4/c1-40(2)26-35(45-33-24-13-11-21-30(33)41(3,4)31-22-12-14-25-34(31)45)36-29(20-15-23-32(36)40)39-43-37(27-16-7-5-8-17-27)42-38(44-39)28-18-9-6-10-19-28/h5-26H,1-4H3
InChIKeyFBJNATRMFDKHHI-UHFFFAOYSA-N
MW582.75 g/mol
LogP9.98
Rot. Bonds4

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

10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethylinden-1-yl]-9,9-dimethylacridine (PubChem CID 138615947) has the molecular formula C41H34N4 and a molecular weight of 582.75 g/mol. Its IUPAC name is 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethylinden-1-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethylinden-1-yl]-9,9-dimethylacridine
PubChem CID138615947
Molecular FormulaC41H34N4
Molecular Weight582.75 g/mol
Exact Mass582.28
IUPAC Name10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethylinden-1-yl]-9,9-dimethylacridine
SMILESCC1(C)C=C(N2c3ccccc3C(C)(C)c3ccccc32)c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C41H34N4/c1-40(2)26-35(45-33-24-13-11-21-30(33)41(3,4)31-22-12-14-25-34(31)45)36-29(20-15-23-32(36)40)39-43-37(27-16-7-5-8-17-27)42-38(44-39)28-18-9-6-10-19-28/h5-26H,1-4H3
InChIKeyFBJNATRMFDKHHI-UHFFFAOYSA-N
XLogP9.98
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007170
10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine
CID 153287580
9,9-dimethyl-10-[4-[4-[2-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine
CID 130380034
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
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-9,9-dimethylacridine
CID 153460374
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 153302614
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-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
2-[3-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166565386

Frequently Asked Questions

What is the IUPAC name of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethylinden-1-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethylinden-1-yl]-9,9-dimethylacridine (CID 138615947) is 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethylinden-1-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethylinden-1-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethylinden-1-yl]-9,9-dimethylacridine is CC1(C)C=C(N2c3ccccc3C(C)(C)c3ccccc32)c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc21.
What is the InChIKey of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethylinden-1-yl]-9,9-dimethylacridine?
The InChIKey is FBJNATRMFDKHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34N4/c1-40(2)26-35(45-33-24-13-11-21-30(33)41(3,4)31-22-12-14-25-34(31)45)36-29(20-15-23-32(36)40)39-43-37(27-16-7-5-8-17-27)42-38(44-39)28-18-9-6-10-19-28/h5-26H,1-4H3.
What are the key properties of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethylinden-1-yl]-9,9-dimethylacridine?
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethylinden-1-yl]-9,9-dimethylacridine has a molecular weight of 582.75 g/mol, XLogP of 9.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethylinden-1-yl]-9,9-dimethylacridine is sourced from PubChem (CID 138615947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).