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

C70H66N4O4 — CID 118972371

IUPAC4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione
SMILESCc1cc(-c2ccc(N3C(=O)c4cccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c4C3=O)c(C)c2)ccc1N1C(=O)c2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2C1=O
InChIInChI=1S/C70H66N4O4/c1-39-33-41(21-27-53(39)73-63(75)47-17-15-19-59(61(47)65(73)77)71-55-29-23-43(67(3,4)5)35-49(55)50-36-44(68(6,7)8)24-30-56(50)71)42-22-28-54(40(2)34-42)74-64(76)48-18-16-20-60(62(48)66(74)78)72-57-31-25-45(69(9,10)11)37-51(57)52-38-46(70(12,13)14)26-32-58(52)72/h15-38H,1-14H3
InChIKeyROVNXKHSMVLGEX-UHFFFAOYSA-N
MW1027.32 g/mol
LogP16.96
Rot. Bonds5

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

4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione (PubChem CID 118972371) has the molecular formula C70H66N4O4 and a molecular weight of 1027.32 g/mol. Its IUPAC name is 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione
PubChem CID118972371
Molecular FormulaC70H66N4O4
Molecular Weight1027.32 g/mol
Exact Mass1026.51
IUPAC Name4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione
SMILESCc1cc(-c2ccc(N3C(=O)c4cccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c4C3=O)c(C)c2)ccc1N1C(=O)c2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2C1=O
InChIInChI=1S/C70H66N4O4/c1-39-33-41(21-27-53(39)73-63(75)47-17-15-19-59(61(47)65(73)77)71-55-29-23-43(67(3,4)5)35-49(55)50-36-44(68(6,7)8)24-30-56(50)71)42-22-28-54(40(2)34-42)74-64(76)48-18-16-20-60(62(48)66(74)78)72-57-31-25-45(69(9,10)11)37-51(57)52-38-46(70(12,13)14)26-32-58(52)72/h15-38H,1-14H3
InChIKeyROVNXKHSMVLGEX-UHFFFAOYSA-N
XLogP16.96
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.32
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,6-ditert-butylcarbazol-9-yl)-2-[3-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 118972370
4-(3-tert-butylcarbazol-9-yl)-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134233934
4-(3-tert-butylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 142280815
4-carbazol-9-yl-2-[2-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione;4-carbazol-9-yl-2-[3-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione;4-(3,6-ditert-butylcarbazol-9-yl)-2-[2-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]propan-2-yl]isoindole-1,3-dione
CID 159151046
4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234441
4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 118972399
2-(2,4-diphenylphenyl)-4-(3-methylcarbazol-9-yl)isoindole-1,3-dione
CID 159839798
4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234174
4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134233982
2-(2,5-diphenylphenyl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]isoindole-1,3-dione;ethane
CID 142280707
4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234149
4-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134240974

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione?
The IUPAC name of 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione (CID 118972371) is 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione.
What is the SMILES notation for 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione?
The canonical SMILES for 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione is Cc1cc(-c2ccc(N3C(=O)c4cccc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c4C3=O)c(C)c2)ccc1N1C(=O)c2cccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2C1=O.
What is the InChIKey of 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione?
The InChIKey is ROVNXKHSMVLGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H66N4O4/c1-39-33-41(21-27-53(39)73-63(75)47-17-15-19-59(61(47)65(73)77)71-55-29-23-43(67(3,4)5)35-49(55)50-36-44(68(6,7)8)24-30-56(50)71)42-22-28-54(40(2)34-42)74-64(76)48-18-16-20-60(62(48)66(74)78)72-57-31-25-45(69(9,10)11)37-51(57)52-38-46(70(12,13)14)26-32-58(52)72/h15-38H,1-14H3.
What are the key properties of 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione?
4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione has a molecular weight of 1027.32 g/mol, XLogP of 16.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-ditert-butylcarbazol-9-yl)-2-[4-[4-[4-(3,6-ditert-butylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione is sourced from PubChem (CID 118972371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).