5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione

C32H22N2O2 — CID 101168915

IUPAC5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione
SMILESO=C1c2c(n(Cc3ccccc3)c3ccccc23)C(=O)c2c1c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C32H22N2O2/c35-31-27-23-15-7-9-17-25(23)33(19-21-11-3-1-4-12-21)29(27)32(36)30-28(31)24-16-8-10-18-26(24)34(30)20-22-13-5-2-6-14-22/h1-18H,19-20H2
InChIKeyHFXFUDCUVUGCDS-UHFFFAOYSA-N
MW466.54 g/mol
LogP6.47
Rot. Bonds4

About 5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione

5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione (PubChem CID 101168915) has the molecular formula C32H22N2O2 and a molecular weight of 466.54 g/mol. Its IUPAC name is 5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione.

Molecular Properties

Compound Name5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione
PubChem CID101168915
Molecular FormulaC32H22N2O2
Molecular Weight466.54 g/mol
Exact Mass466.17
IUPAC Name5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione
SMILESO=C1c2c(n(Cc3ccccc3)c3ccccc23)C(=O)c2c1c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C32H22N2O2/c35-31-27-23-15-7-9-17-25(23)33(19-21-11-3-1-4-12-21)29(27)32(36)30-28(31)24-16-8-10-18-26(24)34(30)20-22-13-5-2-6-14-22/h1-18H,19-20H2
InChIKeyHFXFUDCUVUGCDS-UHFFFAOYSA-N
XLogP6.47
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole
CID 86235085
5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione
CID 12049959
2,4-dibenzyl-1H-pyrrolo[3,4-b]indol-3-one
CID 134117126
1-benzyl-3,1-benzoxazine-2,4-dione
CID 520756
5-benzyl-8-chlorophenanthridin-6-one
CID 71506154
2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 633879
9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407
2-(1-benzyl-2-phenylindol-3-yl)quinoline
CID 101487499
1-benzyl-4-(3-chlorophenyl)quinolin-2-one
CID 166442707
1-benzylindole-2,3-diamine
CID 142192316
1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 19744058
5-benzyl-10-methylphenanthridin-6-one
CID 71505961

Frequently Asked Questions

What is the IUPAC name of 5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione?
The IUPAC name of 5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione (CID 101168915) is 5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione.
What is the SMILES notation for 5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione?
The canonical SMILES for 5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione is O=C1c2c(n(Cc3ccccc3)c3ccccc23)C(=O)c2c1c1ccccc1n2Cc1ccccc1.
What is the InChIKey of 5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione?
The InChIKey is HFXFUDCUVUGCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2O2/c35-31-27-23-15-7-9-17-25(23)33(19-21-11-3-1-4-12-21)29(27)32(36)30-28(31)24-16-8-10-18-26(24)34(30)20-22-13-5-2-6-14-22/h1-18H,19-20H2.
What are the key properties of 5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione?
5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione has a molecular weight of 466.54 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione is sourced from PubChem (CID 101168915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).