10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine

C46H37N3O — CID 134579076

IUPAC10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2Oc2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21
InChIInChI=1S/C46H37N3O/c1-45(2)34-19-11-13-21-40(34)49(41-22-14-12-20-35(41)45)33-24-26-37-43(28-33)50-42-27-32(23-25-36(42)46(37,3)4)39-29-38(30-15-7-5-8-16-30)47-44(48-39)31-17-9-6-10-18-31/h5-29H,1-4H3
InChIKeyONWGKODIRZXZHD-UHFFFAOYSA-N
MW647.82 g/mol
LogP12.02
Rot. Bonds4

About 10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine

10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine (PubChem CID 134579076) has the molecular formula C46H37N3O and a molecular weight of 647.82 g/mol. Its IUPAC name is 10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine
PubChem CID134579076
Molecular FormulaC46H37N3O
Molecular Weight647.82 g/mol
Exact Mass647.29
IUPAC Name10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2Oc2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21
InChIInChI=1S/C46H37N3O/c1-45(2)34-19-11-13-21-40(34)49(41-22-14-12-20-35(41)45)33-24-26-37-43(28-33)50-42-27-32(23-25-36(42)46(37,3)4)39-29-38(30-15-7-5-8-16-30)47-44(48-39)31-17-9-6-10-18-31/h5-29H,1-4H3
InChIKeyONWGKODIRZXZHD-UHFFFAOYSA-N
XLogP12.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.82
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine
CID 71007179
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
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-10-phenylacridin-2-yl]-10-phenylphenoxazine
CID 134579019
10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-3-yl]-9,9-dimethylacridine
CID 153150378
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-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528452
10-[4,8-bis(4,6-diphenylpyrimidin-2-yl)-6-phenoxazin-10-ylnaphthalen-2-yl]phenoxazine;10-[6-(9,9-dimethylacridin-10-yl)-4,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-dimethylacridine;5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-4,8-bis(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 158798738
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[3-phenothiazin-10-yl-5-(6-phenyl-2-pyridinyl)phenyl]phenothiazine
CID 158999619
10-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine
CID 159209827
4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline
CID 89183043

Frequently Asked Questions

What is the IUPAC name of 10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine (CID 134579076) is 10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine is CC1(C)c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2Oc2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21.
What is the InChIKey of 10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine?
The InChIKey is ONWGKODIRZXZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37N3O/c1-45(2)34-19-11-13-21-40(34)49(41-22-14-12-20-35(41)45)33-24-26-37-43(28-33)50-42-27-32(23-25-36(42)46(37,3)4)39-29-38(30-15-7-5-8-16-30)47-44(48-39)31-17-9-6-10-18-31/h5-29H,1-4H3.
What are the key properties of 10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine?
10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine has a molecular weight of 647.82 g/mol, XLogP of 12.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine is sourced from PubChem (CID 134579076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).