4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione

C180H131N17O10 — CID 157102375

IUPAC4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione
SMILESCc1cc(C)c(N2C(=O)c3cccc(-n4c5c(-c6cccnc6)cccc5c5cccc(-c6cccnc6)c54)c3C2=O)c(C)c1.Cc1cc(C)c(N2C(=O)c3cccc(-n4c5cc(-c6cccnc6)ccc5c5ccc(-c6cccnc6)cc54)c3C2=O)c(C)c1.Cc1cc(C)c(N2C(=O)c3cccc(-n4c5ccccc5c5cc(-c6cccnc6)ccc54)c3C2=O)c(C)c1.Cc1cc(C)c(N2C(=O)c3cccc(-n4c5ccccc5c5ccc(-c6cccnc6)cc54)c3C2=O)c(C)c1.Cc1cc(C)c(N2C(=O)c3cccc(-n4c5ccccc5c5cccc(-c6cccnc6)c54)c3C2=O)c(C)c1
InChIInChI=1S/2C39H28N4O2.3C34H25N3O2/c1-23-19-24(2)35(25(3)20-23)43-38(44)32-15-6-16-33(34(32)39(43)45)42-36-28(26-9-7-17-40-21-26)11-4-13-30(36)31-14-5-12-29(37(31)42)27-10-8-18-41-22-27;1-23-17-24(2)37(25(3)18-23)43-38(44)32-9-4-10-33(36(32)39(43)45)42-34-19-26(28-7-5-15-40-21-28)11-13-30(34)31-14-12-27(20-35(31)42)29-8-6-16-41-22-29;1-20-17-21(2)31(22(3)18-20)37-33(38)27-13-7-15-29(30(27)34(37)39)36-28-14-5-4-10-25(28)26-12-6-11-24(32(26)36)23-9-8-16-35-19-23;1-20-16-21(2)32(22(3)17-20)37-33(38)27-10-6-12-29(31(27)34(37)39)36-28-11-5-4-9-25(28)26-14-13-23(18-30(26)36)24-8-7-15-35-19-24;1-20-16-21(2)32(22(3)17-20)37-33(38)26-10-6-12-30(31(26)34(37)39)36-28-11-5-4-9-25(28)27-18-23(13-14-29(27)36)24-8-7-15-35-19-24/h2*4-22H,1-3H3;3*4-19H,1-3H3
InChIKeyAFXHQKHDJGVLNW-UHFFFAOYSA-N
MW2692.14 g/mol
LogP39.98
Rot. Bonds17

About 4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione

4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione (PubChem CID 157102375) has the molecular formula C180H131N17O10 and a molecular weight of 2692.14 g/mol. Its IUPAC name is 4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione
PubChem CID157102375
Molecular FormulaC180H131N17O10
Molecular Weight2692.14 g/mol
Exact Mass2690.03
IUPAC Name4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione
SMILESCc1cc(C)c(N2C(=O)c3cccc(-n4c5c(-c6cccnc6)cccc5c5cccc(-c6cccnc6)c54)c3C2=O)c(C)c1.Cc1cc(C)c(N2C(=O)c3cccc(-n4c5cc(-c6cccnc6)ccc5c5ccc(-c6cccnc6)cc54)c3C2=O)c(C)c1.Cc1cc(C)c(N2C(=O)c3cccc(-n4c5ccccc5c5cc(-c6cccnc6)ccc54)c3C2=O)c(C)c1.Cc1cc(C)c(N2C(=O)c3cccc(-n4c5ccccc5c5ccc(-c6cccnc6)cc54)c3C2=O)c(C)c1.Cc1cc(C)c(N2C(=O)c3cccc(-n4c5ccccc5c5cccc(-c6cccnc6)c54)c3C2=O)c(C)c1
InChIInChI=1S/2C39H28N4O2.3C34H25N3O2/c1-23-19-24(2)35(25(3)20-23)43-38(44)32-15-6-16-33(34(32)39(43)45)42-36-28(26-9-7-17-40-21-26)11-4-13-30(36)31-14-5-12-29(37(31)42)27-10-8-18-41-22-27;1-23-17-24(2)37(25(3)18-23)43-38(44)32-9-4-10-33(36(32)39(43)45)42-34-19-26(28-7-5-15-40-21-28)11-13-30(34)31-14-12-27(20-35(31)42)29-8-6-16-41-22-29;1-20-17-21(2)31(22(3)18-20)37-33(38)27-13-7-15-29(30(27)34(37)39)36-28-14-5-4-10-25(28)26-12-6-11-24(32(26)36)23-9-8-16-35-19-23;1-20-16-21(2)32(22(3)17-20)37-33(38)27-10-6-12-29(31(27)34(37)39)36-28-11-5-4-9-25(28)26-14-13-23(18-30(26)36)24-8-7-15-35-19-24;1-20-16-21(2)32(22(3)17-20)37-33(38)26-10-6-12-30(31(26)34(37)39)36-28-11-5-4-9-25(28)27-18-23(13-14-29(27)36)24-8-7-15-35-19-24/h2*4-22H,1-3H3;3*4-19H,1-3H3
InChIKeyAFXHQKHDJGVLNW-UHFFFAOYSA-N
XLogP39.98
TPSA301.78 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms207
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002692.14
LogP ≤ 539.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione (CID 157102375) is 4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione is Cc1cc(C)c(N2C(=O)c3cccc(-n4c5c(-c6cccnc6)cccc5c5cccc(-c6cccnc6)c54)c3C2=O)c(C)c1.Cc1cc(C)c(N2C(=O)c3cccc(-n4c5cc(-c6cccnc6)ccc5c5ccc(-c6cccnc6)cc54)c3C2=O)c(C)c1.Cc1cc(C)c(N2C(=O)c3cccc(-n4c5ccccc5c5cc(-c6cccnc6)ccc54)c3C2=O)c(C)c1.Cc1cc(C)c(N2C(=O)c3cccc(-n4c5ccccc5c5ccc(-c6cccnc6)cc54)c3C2=O)c(C)c1.Cc1cc(C)c(N2C(=O)c3cccc(-n4c5ccccc5c5cccc(-c6cccnc6)c54)c3C2=O)c(C)c1.
What is the InChIKey of 4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione?
The InChIKey is AFXHQKHDJGVLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H28N4O2.3C34H25N3O2/c1-23-19-24(2)35(25(3)20-23)43-38(44)32-15-6-16-33(34(32)39(43)45)42-36-28(26-9-7-17-40-21-26)11-4-13-30(36)31-14-5-12-29(37(31)42)27-10-8-18-41-22-27;1-23-17-24(2)37(25(3)18-23)43-38(44)32-9-4-10-33(36(32)39(43)45)42-34-19-26(28-7-5-15-40-21-28)11-13-30(34)31-14-12-27(20-35(31)42)29-8-6-16-41-22-29;1-20-17-21(2)31(22(3)18-20)37-33(38)27-13-7-15-29(30(27)34(37)39)36-28-14-5-4-10-25(28)26-12-6-11-24(32(26)36)23-9-8-16-35-19-23;1-20-16-21(2)32(22(3)17-20)37-33(38)27-10-6-12-29(31(27)34(37)39)36-28-11-5-4-9-25(28)26-14-13-23(18-30(26)36)24-8-7-15-35-19-24;1-20-16-21(2)32(22(3)17-20)37-33(38)26-10-6-12-30(31(26)34(37)39)36-28-11-5-4-9-25(28)27-18-23(13-14-29(27)36)24-8-7-15-35-19-24/h2*4-22H,1-3H3;3*4-19H,1-3H3.
What are the key properties of 4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione?
4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione has a molecular weight of 2692.14 g/mol, XLogP of 39.98, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,8-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2,7-dipyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(1-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(2-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione;4-(3-pyridin-3-ylcarbazol-9-yl)-2-(2,4,6-trimethylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 157102375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).