10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine

C49H37N3 — CID 71007094

IUPAC10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C49H37N3/c1-34-26-28-46-42(30-34)49(39-21-11-5-12-22-39,40-23-13-6-14-24-40)43-31-35(2)27-29-47(43)52(46)41-25-15-20-38(32-41)48-50-44(36-16-7-3-8-17-36)33-45(51-48)37-18-9-4-10-19-37/h3-33H,1-2H3
InChIKeyPDYOTCXAXFUCKK-UHFFFAOYSA-N
MW667.86 g/mol
LogP12.26
Rot. Bonds6

About 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine

10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine (PubChem CID 71007094) has the molecular formula C49H37N3 and a molecular weight of 667.86 g/mol. Its IUPAC name is 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine.

Molecular Properties

Compound Name10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
PubChem CID71007094
Molecular FormulaC49H37N3
Molecular Weight667.86 g/mol
Exact Mass667.30
IUPAC Name10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C49H37N3/c1-34-26-28-46-42(30-34)49(39-21-11-5-12-22-39,40-23-13-6-14-24-40)43-31-35(2)27-29-47(43)52(46)41-25-15-20-38(32-41)48-50-44(36-16-7-3-8-17-36)33-45(51-48)37-18-9-4-10-19-37/h3-33H,1-2H3
InChIKeyPDYOTCXAXFUCKK-UHFFFAOYSA-N
XLogP12.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.86
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline
CID 89183043
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
[4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane
CID 59470047
8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene
CID 71004390
5-(2,7-dimethyl-9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 140943868
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 121315996
4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 118345386
CID 137451222
CID 137451222
2'-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263243
2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162112872

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine?
The IUPAC name of 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine (CID 71007094) is 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine.
What is the SMILES notation for 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine?
The canonical SMILES for 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine is Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.
What is the InChIKey of 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine?
The InChIKey is PDYOTCXAXFUCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N3/c1-34-26-28-46-42(30-34)49(39-21-11-5-12-22-39,40-23-13-6-14-24-40)43-31-35(2)27-29-47(43)52(46)41-25-15-20-38(32-41)48-50-44(36-16-7-3-8-17-36)33-45(51-48)37-18-9-4-10-19-37/h3-33H,1-2H3.
What are the key properties of 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine?
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine has a molecular weight of 667.86 g/mol, XLogP of 12.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine is sourced from PubChem (CID 71007094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).