6-(9,9-dimethylacridin-10-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

C40H28N6O — CID 145345116

IUPAC6-(9,9-dimethylacridin-10-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESCC1(C)c2ccccc2N(c2cncc3c2oc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cncc23)c2ccccc21
InChIInChI=1S/C40H28N6O/c1-40(2)30-17-9-11-19-32(30)46(33-20-12-10-18-31(33)40)34-24-42-22-28-27-21-41-23-29(35(27)47-36(28)34)39-44-37(25-13-5-3-6-14-25)43-38(45-39)26-15-7-4-8-16-26/h3-24H,1-2H3
InChIKeyWGOCBHUOTTXVEC-UHFFFAOYSA-N
MW608.71 g/mol
LogP9.67
Rot. Bonds4

About 6-(9,9-dimethylacridin-10-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

6-(9,9-dimethylacridin-10-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 145345116) has the molecular formula C40H28N6O and a molecular weight of 608.71 g/mol. Its IUPAC name is 6-(9,9-dimethylacridin-10-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

Molecular Properties

Compound Name6-(9,9-dimethylacridin-10-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
PubChem CID145345116
Molecular FormulaC40H28N6O
Molecular Weight608.71 g/mol
Exact Mass608.23
IUPAC Name6-(9,9-dimethylacridin-10-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESCC1(C)c2ccccc2N(c2cncc3c2oc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cncc23)c2ccccc21
InChIInChI=1S/C40H28N6O/c1-40(2)30-17-9-11-19-32(30)46(33-20-12-10-18-31(33)40)34-24-42-22-28-27-21-41-23-29(35(27)47-36(28)34)39-44-37(25-13-5-3-6-14-25)43-38(45-39)26-15-7-4-8-16-26/h3-24H,1-2H3
InChIKeyWGOCBHUOTTXVEC-UHFFFAOYSA-N
XLogP9.67
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.71
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(9,9-dimethylacridin-10-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene with MolForge

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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-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine
CID 157278592
10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine
CID 153287580
10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine
CID 129290633
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-9,9-dimethylacridine
CID 153460374
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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007170
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethylinden-1-yl]-9,9-dimethylacridine
CID 138615947
10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,7-diphenylspiro[acridine-9,9'-xanthene]
CID 121382487
2-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 172991970
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

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylacridin-10-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The IUPAC name of 6-(9,9-dimethylacridin-10-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (CID 145345116) is 6-(9,9-dimethylacridin-10-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.
What is the SMILES notation for 6-(9,9-dimethylacridin-10-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The canonical SMILES for 6-(9,9-dimethylacridin-10-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is CC1(C)c2ccccc2N(c2cncc3c2oc2c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cncc23)c2ccccc21.
What is the InChIKey of 6-(9,9-dimethylacridin-10-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The InChIKey is WGOCBHUOTTXVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N6O/c1-40(2)30-17-9-11-19-32(30)46(33-20-12-10-18-31(33)40)34-24-42-22-28-27-21-41-23-29(35(27)47-36(28)34)39-44-37(25-13-5-3-6-14-25)43-38(45-39)26-15-7-4-8-16-26/h3-24H,1-2H3.
What are the key properties of 6-(9,9-dimethylacridin-10-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
6-(9,9-dimethylacridin-10-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene has a molecular weight of 608.71 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylacridin-10-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 145345116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).