4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione

C44H27N3O2 — CID 147200789

IUPAC4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)c2C(=O)N1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C44H27N3O2/c48-43-35-21-12-25-39(41(35)44(49)45(43)30-16-10-15-29(27-30)28-13-2-1-3-14-28)47-38-24-9-6-19-33(38)34-20-11-26-40(42(34)47)46-36-22-7-4-17-31(36)32-18-5-8-23-37(32)46/h1-27H
InChIKeyCDGWYERPCPFCNR-UHFFFAOYSA-N
MW629.72 g/mol
LogP10.35
Rot. Bonds4

About 4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione

4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione (PubChem CID 147200789) has the molecular formula C44H27N3O2 and a molecular weight of 629.72 g/mol. Its IUPAC name is 4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
PubChem CID147200789
Molecular FormulaC44H27N3O2
Molecular Weight629.72 g/mol
Exact Mass629.21
IUPAC Name4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)c2C(=O)N1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C44H27N3O2/c48-43-35-21-12-25-39(41(35)44(49)45(43)30-16-10-15-29(27-30)28-13-2-1-3-14-28)47-38-24-9-6-19-33(38)34-20-11-26-40(42(34)47)46-36-22-7-4-17-31(36)32-18-5-8-23-37(32)46/h1-27H
InChIKeyCDGWYERPCPFCNR-UHFFFAOYSA-N
XLogP10.35
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.72
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134233887
4-carbazol-9-yl-2-phenylisoindole-1,3-dione
CID 118972355
4-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134234241
2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233958
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
4-[1-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
CID 134235007
4-[1-(2,4-dimethylphenyl)carbazol-9-yl]-2-(3,5-diphenylphenyl)isoindole-1,3-dione
CID 134234077
2-[6-(2-cyanophenyl)-9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234199
4-(1-carbazol-9-ylcarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;4-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione;4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 158623513
4-[2-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 157418592
4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione
CID 118972459
4-[1,8-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione;ethane
CID 142280857

Frequently Asked Questions

What is the IUPAC name of 4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione (CID 147200789) is 4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione is O=C1c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)c2C(=O)N1c1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione?
The InChIKey is CDGWYERPCPFCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3O2/c48-43-35-21-12-25-39(41(35)44(49)45(43)30-16-10-15-29(27-30)28-13-2-1-3-14-28)47-38-24-9-6-19-33(38)34-20-11-26-40(42(34)47)46-36-22-7-4-17-31(36)32-18-5-8-23-37(32)46/h1-27H.
What are the key properties of 4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione?
4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione has a molecular weight of 629.72 g/mol, XLogP of 10.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 147200789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).