4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]isoindole-1,3-dione;4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione

C124H122N8O8 — CID 160780144

IUPAC4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]isoindole-1,3-dione;4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1C(=O)N(C1CCC(N3C(=O)c4cccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c4C3=O)CC1)C2=O.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1C(=O)N(c1ccc(N3C(=O)c4cccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c4C3=O)cc1)C2=O
InChIInChI=1S/C62H64N4O4.C62H58N4O4/c2*1-59(2,3)35-19-27-47-43(31-35)44-32-36(60(4,5)6)20-28-48(44)65(47)51-17-13-15-41-53(51)57(69)63(55(41)67)39-23-25-40(26-24-39)64-56(68)42-16-14-18-52(54(42)58(64)70)66-49-29-21-37(61(7,8)9)33-45(49)46-34-38(62(10,11)12)22-30-50(46)66/h13-22,27-34,39-40H,23-26H2,1-12H3;13-34H,1-12H3
InChIKeySALUYRLEVUOEAB-UHFFFAOYSA-N
MW1852.39 g/mol
LogP28.95
Rot. Bonds8

About 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]isoindole-1,3-dione;4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione

4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]isoindole-1,3-dione;4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione (PubChem CID 160780144) has the molecular formula C124H122N8O8 and a molecular weight of 1852.39 g/mol. Its IUPAC name is 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]isoindole-1,3-dione;4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]isoindole-1,3-dione;4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
PubChem CID160780144
Molecular FormulaC124H122N8O8
Molecular Weight1852.39 g/mol
Exact Mass1850.94
IUPAC Name4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]isoindole-1,3-dione;4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1C(=O)N(C1CCC(N3C(=O)c4cccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c4C3=O)CC1)C2=O.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1C(=O)N(c1ccc(N3C(=O)c4cccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c4C3=O)cc1)C2=O
InChIInChI=1S/C62H64N4O4.C62H58N4O4/c2*1-59(2,3)35-19-27-47-43(31-35)44-32-36(60(4,5)6)20-28-48(44)65(47)51-17-13-15-41-53(51)57(69)63(55(41)67)39-23-25-40(26-24-39)64-56(68)42-16-14-18-52(54(42)58(64)70)66-49-29-21-37(61(7,8)9)33-45(49)46-34-38(62(10,11)12)22-30-50(46)66/h13-22,27-34,39-40H,23-26H2,1-12H3;13-34H,1-12H3
InChIKeySALUYRLEVUOEAB-UHFFFAOYSA-N
XLogP28.95
TPSA169.24 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001852.39
LogP ≤ 528.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]isoindole-1,3-dione;4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]isoindole-1,3-dione;4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione?
The IUPAC name of 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]isoindole-1,3-dione;4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione (CID 160780144) is 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]isoindole-1,3-dione;4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]isoindole-1,3-dione;4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]isoindole-1,3-dione;4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1C(=O)N(C1CCC(N3C(=O)c4cccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c4C3=O)CC1)C2=O.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1C(=O)N(c1ccc(N3C(=O)c4cccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c4C3=O)cc1)C2=O.
What is the InChIKey of 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]isoindole-1,3-dione;4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione?
The InChIKey is SALUYRLEVUOEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H64N4O4.C62H58N4O4/c2*1-59(2,3)35-19-27-47-43(31-35)44-32-36(60(4,5)6)20-28-48(44)65(47)51-17-13-15-41-53(51)57(69)63(55(41)67)39-23-25-40(26-24-39)64-56(68)42-16-14-18-52(54(42)58(64)70)66-49-29-21-37(61(7,8)9)33-45(49)46-34-38(62(10,11)12)22-30-50(46)66/h13-22,27-34,39-40H,23-26H2,1-12H3;13-34H,1-12H3.
What are the key properties of 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]isoindole-1,3-dione;4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione?
4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]isoindole-1,3-dione;4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione has a molecular weight of 1852.39 g/mol, XLogP of 28.95, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]cyclohexyl]isoindole-1,3-dione;4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 160780144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).