10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine

C40H34N4 — CID 59399668

IUPAC10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccccc3)nc(N3c4ccccc4C(C)(C)c4ccccc43)n2)c2ccccc21
InChIInChI=1S/C40H34N4/c1-39(2)28-18-8-12-22-33(28)43(34-23-13-9-19-29(34)39)37-26-32(27-16-6-5-7-17-27)41-38(42-37)44-35-24-14-10-20-30(35)40(3,4)31-21-11-15-25-36(31)44/h5-26H,1-4H3
InChIKeyVYBJCIQDIKCAFA-UHFFFAOYSA-N
MW570.74 g/mol
LogP10.36
Rot. Bonds3

About 10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine

10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine (PubChem CID 59399668) has the molecular formula C40H34N4 and a molecular weight of 570.74 g/mol. Its IUPAC name is 10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine
PubChem CID59399668
Molecular FormulaC40H34N4
Molecular Weight570.74 g/mol
Exact Mass570.28
IUPAC Name10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccccc3)nc(N3c4ccccc4C(C)(C)c4ccccc43)n2)c2ccccc21
InChIInChI=1S/C40H34N4/c1-39(2)28-18-8-12-22-33(28)43(34-23-13-9-19-29(34)39)37-26-32(27-16-6-5-7-17-27)41-38(42-37)44-35-24-14-10-20-30(35)40(3,4)31-21-11-15-25-36(31)44/h5-26H,1-4H3
InChIKeyVYBJCIQDIKCAFA-UHFFFAOYSA-N
XLogP10.36
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.74
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(4,6-diphenyl-2-pyridinyl)-9,9-dimethyl-2-naphthalen-2-ylacridine
CID 118472939
14-(4,6-diphenylpyrimidin-2-yl)-21,21-dimethyl-10,10-diphenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 67472191
10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine
CID 129290633
2-(10,10-dimethyl-9H-anthracen-9-yl)-4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;10-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-9,9-dimethylacridine;10-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-9,9-dimethylacridine;4-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-N,N-diphenylaniline;10-[4-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine
CID 157182403
12-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-13-phenylindolo[3,2-c]acridine
CID 67472194
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
1-(4,6-diphenylpyrimidin-2-yl)-3,3,4,4-tetramethylpyrrolidine-2,5-dione
CID 177145002
8,8,14,14-tetramethyl-11-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90330276
10-(6-bromo-2-pyridinyl)-9,9-dimethylacridine
CID 134194197
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
25-(2,6-diphenylpyrimidin-4-yl)-18,18-dimethyl-3-thia-25-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene
CID 164837214
10-[4-[6-[4-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylacridine
CID 121380931

Frequently Asked Questions

What is the IUPAC name of 10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine (CID 59399668) is 10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2cc(-c3ccccc3)nc(N3c4ccccc4C(C)(C)c4ccccc43)n2)c2ccccc21.
What is the InChIKey of 10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine?
The InChIKey is VYBJCIQDIKCAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N4/c1-39(2)28-18-8-12-22-33(28)43(34-23-13-9-19-29(34)39)37-26-32(27-16-6-5-7-17-27)41-38(42-37)44-35-24-14-10-20-30(35)40(3,4)31-21-11-15-25-36(31)44/h5-26H,1-4H3.
What are the key properties of 10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine?
10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine has a molecular weight of 570.74 g/mol, XLogP of 10.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine is sourced from PubChem (CID 59399668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).