5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione;5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione

C154H92N12O8 — CID 161039264

IUPAC5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione;5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione
SMILESCc1cc(-c2ccc(N3C(=O)c4cc(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)cc4C3=O)c(C)c2)ccc1N1C(=O)c2cc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)cc2C1=O.O=C1c2cc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)cc2C(=O)N1c1ccc(-c2ccc(N3C(=O)c4cc(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)cc4C3=O)cc2)cc1
InChIInChI=1S/C78H48N6O4.C76H44N6O4/c1-45-39-47(35-37-61(45)83-75(85)57-41-71(79-63-27-11-3-19-49(63)50-20-4-12-28-64(50)79)72(42-58(57)76(83)86)80-65-29-13-5-21-51(65)52-22-6-14-30-66(52)80)48-36-38-62(46(2)40-48)84-77(87)59-43-73(81-67-31-15-7-23-53(67)54-24-8-16-32-68(54)81)74(44-60(59)78(84)88)82-69-33-17-9-25-55(69)56-26-10-18-34-70(56)82;83-73-57-41-69(79-61-25-9-1-17-49(61)50-18-2-10-26-62(50)79)70(80-63-27-11-3-19-51(63)52-20-4-12-28-64(52)80)42-58(57)74(84)77(73)47-37-33-45(34-38-47)46-35-39-48(40-36-46)78-75(85)59-43-71(81-65-29-13-5-21-53(65)54-22-6-14-30-66(54)81)72(44-60(59)76(78)86)82-67-31-15-7-23-55(67)56-24-8-16-32-68(56)82/h3-44H,1-2H3;1-44H
InChIKeyUARAEMCRRWFMGO-UHFFFAOYSA-N
MW2238.51 g/mol
LogP35.30
Rot. Bonds14

About 5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione;5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione

5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione;5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione (PubChem CID 161039264) has the molecular formula C154H92N12O8 and a molecular weight of 2238.51 g/mol. Its IUPAC name is 5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione;5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione;5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione
PubChem CID161039264
Molecular FormulaC154H92N12O8
Molecular Weight2238.51 g/mol
Exact Mass2236.72
IUPAC Name5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione;5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione
SMILESCc1cc(-c2ccc(N3C(=O)c4cc(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)cc4C3=O)c(C)c2)ccc1N1C(=O)c2cc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)cc2C1=O.O=C1c2cc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)cc2C(=O)N1c1ccc(-c2ccc(N3C(=O)c4cc(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)cc4C3=O)cc2)cc1
InChIInChI=1S/C78H48N6O4.C76H44N6O4/c1-45-39-47(35-37-61(45)83-75(85)57-41-71(79-63-27-11-3-19-49(63)50-20-4-12-28-64(50)79)72(42-58(57)76(83)86)80-65-29-13-5-21-51(65)52-22-6-14-30-66(52)80)48-36-38-62(46(2)40-48)84-77(87)59-43-73(81-67-31-15-7-23-53(67)54-24-8-16-32-68(54)81)74(44-60(59)78(84)88)82-69-33-17-9-25-55(69)56-26-10-18-34-70(56)82;83-73-57-41-69(79-61-25-9-1-17-49(61)50-18-2-10-26-62(50)79)70(80-63-27-11-3-19-51(63)52-20-4-12-28-64(52)80)42-58(57)74(84)77(73)47-37-33-45(34-38-47)46-35-39-48(40-36-46)78-75(85)59-43-71(81-65-29-13-5-21-53(65)54-22-6-14-30-66(54)81)72(44-60(59)76(78)86)82-67-31-15-7-23-55(67)56-24-8-16-32-68(56)82/h3-44H,1-2H3;1-44H
InChIKeyUARAEMCRRWFMGO-UHFFFAOYSA-N
XLogP35.30
TPSA188.96 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002238.51
LogP ≤ 535.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione;5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione;5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione?
The IUPAC name of 5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione;5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione (CID 161039264) is 5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione;5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione;5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione;5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione is Cc1cc(-c2ccc(N3C(=O)c4cc(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)cc4C3=O)c(C)c2)ccc1N1C(=O)c2cc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)cc2C1=O.O=C1c2cc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)cc2C(=O)N1c1ccc(-c2ccc(N3C(=O)c4cc(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)cc4C3=O)cc2)cc1.
What is the InChIKey of 5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione;5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione?
The InChIKey is UARAEMCRRWFMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N6O4.C76H44N6O4/c1-45-39-47(35-37-61(45)83-75(85)57-41-71(79-63-27-11-3-19-49(63)50-20-4-12-28-64(50)79)72(42-58(57)76(83)86)80-65-29-13-5-21-51(65)52-22-6-14-30-66(52)80)48-36-38-62(46(2)40-48)84-77(87)59-43-73(81-67-31-15-7-23-53(67)54-24-8-16-32-68(54)81)74(44-60(59)78(84)88)82-69-33-17-9-25-55(69)56-26-10-18-34-70(56)82;83-73-57-41-69(79-61-25-9-1-17-49(61)50-18-2-10-26-62(50)79)70(80-63-27-11-3-19-51(63)52-20-4-12-28-64(52)80)42-58(57)74(84)77(73)47-37-33-45(34-38-47)46-35-39-48(40-36-46)78-75(85)59-43-71(81-65-29-13-5-21-53(65)54-22-6-14-30-66(54)81)72(44-60(59)76(78)86)82-67-31-15-7-23-55(67)56-24-8-16-32-68(56)82/h3-44H,1-2H3;1-44H.
What are the key properties of 5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione;5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione?
5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione;5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione has a molecular weight of 2238.51 g/mol, XLogP of 35.30, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]-3-methylphenyl]-2-methylphenyl]isoindole-1,3-dione;5,6-di(carbazol-9-yl)-2-[4-[4-[5,6-di(carbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 161039264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).