5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(10-ethylphenazin-5-yl)isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(9-oxoacridin-10-yl)isoindole-1,3-dione

C112H99N7O7 — CID 161497521

IUPAC5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(10-ethylphenazin-5-yl)isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(9-oxoacridin-10-yl)isoindole-1,3-dione
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(-n3c4ccccc4c(=O)c4ccccc43)cc2C1=O.CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2C1=O.CCN1c2ccccc2N(c2ccc3c(c2)C(=O)N(c2c(C(C)C)cccc2C(C)C)C3=O)c2ccccc21
InChIInChI=1S/C45H38N2O2.C34H33N3O2.C33H28N2O3/c1-29(2)34-20-15-21-35(30(3)4)42(34)47-43(48)36-27-26-33(28-37(36)44(47)49)46-40-24-13-11-22-38(40)45(31-16-7-5-8-17-31,32-18-9-6-10-19-32)39-23-12-14-25-41(39)46;1-6-35-28-14-7-9-16-30(28)36(31-17-10-8-15-29(31)35)23-18-19-26-27(20-23)34(39)37(33(26)38)32-24(21(2)3)12-11-13-25(32)22(4)5;1-19(2)22-12-9-13-23(20(3)4)30(22)35-32(37)24-17-16-21(18-27(24)33(35)38)34-28-14-7-5-10-25(28)31(36)26-11-6-8-15-29(26)34/h5-30H,1-4H3;7-22H,6H2,1-5H3;5-20H,1-4H3
InChIKeyWGKDQNRYGJVYFB-UHFFFAOYSA-N
MW1655.07 g/mol
LogP26.77
Rot. Bonds15

About 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(10-ethylphenazin-5-yl)isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(9-oxoacridin-10-yl)isoindole-1,3-dione

5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(10-ethylphenazin-5-yl)isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(9-oxoacridin-10-yl)isoindole-1,3-dione (PubChem CID 161497521) has the molecular formula C112H99N7O7 and a molecular weight of 1655.07 g/mol. Its IUPAC name is 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(10-ethylphenazin-5-yl)isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(9-oxoacridin-10-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(10-ethylphenazin-5-yl)isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(9-oxoacridin-10-yl)isoindole-1,3-dione
PubChem CID161497521
Molecular FormulaC112H99N7O7
Molecular Weight1655.07 g/mol
Exact Mass1653.76
IUPAC Name5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(10-ethylphenazin-5-yl)isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(9-oxoacridin-10-yl)isoindole-1,3-dione
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(-n3c4ccccc4c(=O)c4ccccc43)cc2C1=O.CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2C1=O.CCN1c2ccccc2N(c2ccc3c(c2)C(=O)N(c2c(C(C)C)cccc2C(C)C)C3=O)c2ccccc21
InChIInChI=1S/C45H38N2O2.C34H33N3O2.C33H28N2O3/c1-29(2)34-20-15-21-35(30(3)4)42(34)47-43(48)36-27-26-33(28-37(36)44(47)49)46-40-24-13-11-22-38(40)45(31-16-7-5-8-17-31,32-18-9-6-10-19-32)39-23-12-14-25-41(39)46;1-6-35-28-14-7-9-16-30(28)36(31-17-10-8-15-29(31)35)23-18-19-26-27(20-23)34(39)37(33(26)38)32-24(21(2)3)12-11-13-25(32)22(4)5;1-19(2)22-12-9-13-23(20(3)4)30(22)35-32(37)24-17-16-21(18-27(24)33(35)38)34-28-14-7-5-10-25(28)31(36)26-11-6-8-15-29(26)34/h5-30H,1-4H3;7-22H,6H2,1-5H3;5-20H,1-4H3
InChIKeyWGKDQNRYGJVYFB-UHFFFAOYSA-N
XLogP26.77
TPSA143.86 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001655.07
LogP ≤ 526.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(10-ethylphenazin-5-yl)isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(9-oxoacridin-10-yl)isoindole-1,3-dione with MolForge

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Related Compounds

5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione
CID 130417550
5,6-di(carbazol-9-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione
CID 121247998
2-[2,6-di(propan-2-yl)phenyl]-5-phenothiazin-10-ylisoindole-1,3-dione
CID 121248016
2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248032
10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine
CID 59470098
10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
CID 146511336
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-3-yl)acridine
CID 153463090
4,7-di(carbazol-9-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione
CID 121248042
5-carbazol-9-yl-2-[3-[3-(5-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]phenyl]isoindole-1,3-dione
CID 118972314
9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine
CID 153463100

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(10-ethylphenazin-5-yl)isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(9-oxoacridin-10-yl)isoindole-1,3-dione?
The IUPAC name of 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(10-ethylphenazin-5-yl)isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(9-oxoacridin-10-yl)isoindole-1,3-dione (CID 161497521) is 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(10-ethylphenazin-5-yl)isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(9-oxoacridin-10-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(10-ethylphenazin-5-yl)isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(9-oxoacridin-10-yl)isoindole-1,3-dione?
The canonical SMILES for 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(10-ethylphenazin-5-yl)isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(9-oxoacridin-10-yl)isoindole-1,3-dione is CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(-n3c4ccccc4c(=O)c4ccccc43)cc2C1=O.CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2C1=O.CCN1c2ccccc2N(c2ccc3c(c2)C(=O)N(c2c(C(C)C)cccc2C(C)C)C3=O)c2ccccc21.
What is the InChIKey of 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(10-ethylphenazin-5-yl)isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(9-oxoacridin-10-yl)isoindole-1,3-dione?
The InChIKey is WGKDQNRYGJVYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38N2O2.C34H33N3O2.C33H28N2O3/c1-29(2)34-20-15-21-35(30(3)4)42(34)47-43(48)36-27-26-33(28-37(36)44(47)49)46-40-24-13-11-22-38(40)45(31-16-7-5-8-17-31,32-18-9-6-10-19-32)39-23-12-14-25-41(39)46;1-6-35-28-14-7-9-16-30(28)36(31-17-10-8-15-29(31)35)23-18-19-26-27(20-23)34(39)37(33(26)38)32-24(21(2)3)12-11-13-25(32)22(4)5;1-19(2)22-12-9-13-23(20(3)4)30(22)35-32(37)24-17-16-21(18-27(24)33(35)38)34-28-14-7-5-10-25(28)31(36)26-11-6-8-15-29(26)34/h5-30H,1-4H3;7-22H,6H2,1-5H3;5-20H,1-4H3.
What are the key properties of 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(10-ethylphenazin-5-yl)isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(9-oxoacridin-10-yl)isoindole-1,3-dione?
5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(10-ethylphenazin-5-yl)isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(9-oxoacridin-10-yl)isoindole-1,3-dione has a molecular weight of 1655.07 g/mol, XLogP of 26.77, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(10-ethylphenazin-5-yl)isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(9-oxoacridin-10-yl)isoindole-1,3-dione is sourced from PubChem (CID 161497521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).