4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione

C70H42N4O4 — CID 118972399

IUPAC4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2C(=O)N1c1ccc(N2C(=O)c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c3C2=O)cc1
InChIInChI=1S/C70H42N4O4/c75-67-53-23-13-25-63(73-59-35-27-47(43-15-5-1-6-16-43)39-55(59)56-40-48(28-36-60(56)73)44-17-7-2-8-18-44)65(53)69(77)71(67)51-31-33-52(34-32-51)72-68(76)54-24-14-26-64(66(54)70(72)78)74-61-37-29-49(45-19-9-3-10-20-45)41-57(61)58-42-50(30-38-62(58)74)46-21-11-4-12-22-46/h1-42H
InChIKeyCNTZCWYOOBEDHN-UHFFFAOYSA-N
MW1003.13 g/mol
LogP16.15
Rot. Bonds8

About 4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione

4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione (PubChem CID 118972399) has the molecular formula C70H42N4O4 and a molecular weight of 1003.13 g/mol. Its IUPAC name is 4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
PubChem CID118972399
Molecular FormulaC70H42N4O4
Molecular Weight1003.13 g/mol
Exact Mass1002.32
IUPAC Name4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2C(=O)N1c1ccc(N2C(=O)c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c3C2=O)cc1
InChIInChI=1S/C70H42N4O4/c75-67-53-23-13-25-63(73-59-35-27-47(43-15-5-1-6-16-43)39-55(59)56-40-48(28-36-60(56)73)44-17-7-2-8-18-44)65(53)69(77)71(67)51-31-33-52(34-32-51)72-68(76)54-24-14-26-64(66(54)70(72)78)74-61-37-29-49(45-19-9-3-10-20-45)41-57(61)58-42-50(30-38-62(58)74)46-21-11-4-12-22-46/h1-42H
InChIKeyCNTZCWYOOBEDHN-UHFFFAOYSA-N
XLogP16.15
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.13
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

2-[6-(2-cyanophenyl)-9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234199
4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134233887
6-[9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-3-yl]pyridine-2-carbonitrile
CID 134234685
4-carbazol-9-yl-2-phenylisoindole-1,3-dione
CID 118972355
2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233958
4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 147200789
4-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134240974
4-[6-(4-cyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234272
2-(2,4-diphenylphenyl)-4-[3,6-di(pyrimidin-5-yl)carbazol-9-yl]isoindole-1,3-dione
CID 134234617
4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134234241
5-[7-(3,5-dicyanophenyl)-9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234699
4-[3,6-bis(2-methylphenyl)carbazol-9-yl]-2-(2,6-diphenylphenyl)isoindole-1,3-dione
CID 134234174

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione?
The IUPAC name of 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) is 4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione is O=C1c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c2C(=O)N1c1ccc(N2C(=O)c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c3C2=O)cc1.
What is the InChIKey of 4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione?
The InChIKey is CNTZCWYOOBEDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N4O4/c75-67-53-23-13-25-63(73-59-35-27-47(43-15-5-1-6-16-43)39-55(59)56-40-48(28-36-60(56)73)44-17-7-2-8-18-44)65(53)69(77)71(67)51-31-33-52(34-32-51)72-68(76)54-24-14-26-64(66(54)70(72)78)74-61-37-29-49(45-19-9-3-10-20-45)41-57(61)58-42-50(30-38-62(58)74)46-21-11-4-12-22-46/h1-42H.
What are the key properties of 4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione?
4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione has a molecular weight of 1003.13 g/mol, XLogP of 16.15, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 118972399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).