2-(9-ethylcarbazol-3-yl)-5-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-(9-ethylcarbazol-3-yl)-5-[2-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione

C91H63F3N8O8 — CID 157175278

IUPAC2-(9-ethylcarbazol-3-yl)-5-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-(9-ethylcarbazol-3-yl)-5-[2-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione
SMILESCCn1c2ccccc2c2cc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(c5ccc7c(c5)c5ccccc5n7CC)C6=O)cc4C3=O)ccc21.CCn1c2ccccc2c2cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc7c(c5)c5ccccc5n7CC)C6=O)C(F)(F)F)cc4C3=O)ccc21
InChIInChI=1S/C47H33F3N4O4.C44H30N4O4/c1-4-51-38-12-8-6-10-30(38)34-24-28(16-20-40(34)51)53-42(55)32-18-14-26(22-36(32)44(53)57)46(3,47(48,49)50)27-15-19-33-37(23-27)45(58)54(43(33)56)29-17-21-41-35(25-29)31-11-7-9-13-39(31)52(41)5-2;1-3-45-37-11-7-5-9-29(37)33-23-27(15-19-39(33)45)47-41(49)31-17-13-25(21-35(31)43(47)51)26-14-18-32-36(22-26)44(52)48(42(32)50)28-16-20-40-34(24-28)30-10-6-8-12-38(30)46(40)4-2/h6-25H,4-5H2,1-3H3;5-24H,3-4H2,1-2H3
InChIKeyANXXFBHJAHTVQQ-UHFFFAOYSA-N
MW1453.55 g/mol
LogP19.62
Rot. Bonds11

About 2-(9-ethylcarbazol-3-yl)-5-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-(9-ethylcarbazol-3-yl)-5-[2-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione

2-(9-ethylcarbazol-3-yl)-5-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-(9-ethylcarbazol-3-yl)-5-[2-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione (PubChem CID 157175278) has the molecular formula C91H63F3N8O8 and a molecular weight of 1453.55 g/mol. Its IUPAC name is 2-(9-ethylcarbazol-3-yl)-5-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-(9-ethylcarbazol-3-yl)-5-[2-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(9-ethylcarbazol-3-yl)-5-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-(9-ethylcarbazol-3-yl)-5-[2-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione
PubChem CID157175278
Molecular FormulaC91H63F3N8O8
Molecular Weight1453.55 g/mol
Exact Mass1452.47
IUPAC Name2-(9-ethylcarbazol-3-yl)-5-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-(9-ethylcarbazol-3-yl)-5-[2-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione
SMILESCCn1c2ccccc2c2cc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(c5ccc7c(c5)c5ccccc5n7CC)C6=O)cc4C3=O)ccc21.CCn1c2ccccc2c2cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc7c(c5)c5ccccc5n7CC)C6=O)C(F)(F)F)cc4C3=O)ccc21
InChIInChI=1S/C47H33F3N4O4.C44H30N4O4/c1-4-51-38-12-8-6-10-30(38)34-24-28(16-20-40(34)51)53-42(55)32-18-14-26(22-36(32)44(53)57)46(3,47(48,49)50)27-15-19-33-37(23-27)45(58)54(43(33)56)29-17-21-41-35(25-29)31-11-7-9-13-39(31)52(41)5-2;1-3-45-37-11-7-5-9-29(37)33-23-27(15-19-39(33)45)47-41(49)31-17-13-25(21-35(31)43(47)51)26-14-18-32-36(22-26)44(52)48(42(32)50)28-16-20-40-34(24-28)30-10-6-8-12-38(30)46(40)4-2/h6-25H,4-5H2,1-3H3;5-24H,3-4H2,1-2H3
InChIKeyANXXFBHJAHTVQQ-UHFFFAOYSA-N
XLogP19.62
TPSA169.24 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001453.55
LogP ≤ 519.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(9-ethylcarbazol-3-yl)-5-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-(9-ethylcarbazol-3-yl)-5-[2-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(9-ethylcarbazol-3-yl)-5-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-(9-ethylcarbazol-3-yl)-5-[2-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-(9-ethylcarbazol-3-yl)-5-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-(9-ethylcarbazol-3-yl)-5-[2-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione (CID 157175278) is 2-(9-ethylcarbazol-3-yl)-5-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-(9-ethylcarbazol-3-yl)-5-[2-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-(9-ethylcarbazol-3-yl)-5-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-(9-ethylcarbazol-3-yl)-5-[2-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-(9-ethylcarbazol-3-yl)-5-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-(9-ethylcarbazol-3-yl)-5-[2-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione is CCn1c2ccccc2c2cc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(c5ccc7c(c5)c5ccccc5n7CC)C6=O)cc4C3=O)ccc21.CCn1c2ccccc2c2cc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc7c(c5)c5ccccc5n7CC)C6=O)C(F)(F)F)cc4C3=O)ccc21.
What is the InChIKey of 2-(9-ethylcarbazol-3-yl)-5-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-(9-ethylcarbazol-3-yl)-5-[2-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione?
The InChIKey is ANXXFBHJAHTVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33F3N4O4.C44H30N4O4/c1-4-51-38-12-8-6-10-30(38)34-24-28(16-20-40(34)51)53-42(55)32-18-14-26(22-36(32)44(53)57)46(3,47(48,49)50)27-15-19-33-37(23-27)45(58)54(43(33)56)29-17-21-41-35(25-29)31-11-7-9-13-39(31)52(41)5-2;1-3-45-37-11-7-5-9-29(37)33-23-27(15-19-39(33)45)47-41(49)31-17-13-25(21-35(31)43(47)51)26-14-18-32-36(22-26)44(52)48(42(32)50)28-16-20-40-34(24-28)30-10-6-8-12-38(30)46(40)4-2/h6-25H,4-5H2,1-3H3;5-24H,3-4H2,1-2H3.
What are the key properties of 2-(9-ethylcarbazol-3-yl)-5-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-(9-ethylcarbazol-3-yl)-5-[2-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione?
2-(9-ethylcarbazol-3-yl)-5-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-(9-ethylcarbazol-3-yl)-5-[2-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione has a molecular weight of 1453.55 g/mol, XLogP of 19.62, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-ethylcarbazol-3-yl)-5-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-(9-ethylcarbazol-3-yl)-5-[2-[2-(9-ethylcarbazol-3-yl)-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 157175278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).