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

C42H30N4O — CID 157278592

IUPAC10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cccc3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c23)c2ccccc21
InChIInChI=1S/C42H30N4O/c1-42(2)31-18-9-11-20-33(31)46(34-21-12-10-19-32(34)42)35-22-13-23-36-38(35)30-25-24-29(26-37(30)47-36)41-44-39(27-14-5-3-6-15-27)43-40(45-41)28-16-7-4-8-17-28/h3-26H,1-2H3
InChIKeyAZJWLSKULFLEKM-UHFFFAOYSA-N
MW606.73 g/mol
LogP10.88
Rot. Bonds4

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

10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine (PubChem CID 157278592) has the molecular formula C42H30N4O and a molecular weight of 606.73 g/mol. Its IUPAC name is 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine
PubChem CID157278592
Molecular FormulaC42H30N4O
Molecular Weight606.73 g/mol
Exact Mass606.24
IUPAC Name10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cccc3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c23)c2ccccc21
InChIInChI=1S/C42H30N4O/c1-42(2)31-18-9-11-20-33(31)46(34-21-12-10-19-32(34)42)35-22-13-23-36-38(35)30-25-24-29(26-37(30)47-36)41-44-39(27-14-5-3-6-15-27)43-40(45-41)28-16-7-4-8-17-28/h3-26H,1-2H3
InChIKeyAZJWLSKULFLEKM-UHFFFAOYSA-N
XLogP10.88
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.73
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine with MolForge

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Related Compounds

14-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130327434
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681346
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681215
1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 170080056
10-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenoxazine
CID 145345234
2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680942
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681282
2-(9,9-dimethylfluoren-2-yl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170681257
2-(9,9-dimethylfluoren-3-yl)-4-[3-(9-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170681343
2-(9,9-dimethylfluoren-4-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681081
2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170680833
(9S)-10-dibenzofuran-1-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-methyl-9-(2-phenylphenyl)acridine
CID 167067160

Frequently Asked Questions

What is the IUPAC name of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine (CID 157278592) is 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2cccc3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c23)c2ccccc21.
What is the InChIKey of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine?
The InChIKey is AZJWLSKULFLEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4O/c1-42(2)31-18-9-11-20-33(31)46(34-21-12-10-19-32(34)42)35-22-13-23-36-38(35)30-25-24-29(26-37(30)47-36)41-44-39(27-14-5-3-6-15-27)43-40(45-41)28-16-7-4-8-17-28/h3-26H,1-2H3.
What are the key properties of 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine?
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine has a molecular weight of 606.73 g/mol, XLogP of 10.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine is sourced from PubChem (CID 157278592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).