8,8-dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione

C32H29NO2 — CID 118719585

IUPAC8,8-dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione
SMILESCC(C)n1c2c(c3c1-c1ccccc1C3=O)C(=O)C(Cc1ccccc1)(Cc1ccccc1)CC2
InChIInChI=1S/C32H29NO2/c1-21(2)33-26-17-18-32(19-22-11-5-3-6-12-22,20-23-13-7-4-8-14-23)31(35)27(26)28-29(33)24-15-9-10-16-25(24)30(28)34/h3-16,21H,17-20H2,1-2H3
InChIKeyMOHQOWFTKJLPON-UHFFFAOYSA-N
MW459.59 g/mol
LogP6.88
Rot. Bonds5

About 8,8-dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione

8,8-dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione (PubChem CID 118719585) has the molecular formula C32H29NO2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 8,8-dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione.

Molecular Properties

Compound Name8,8-dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione
PubChem CID118719585
Molecular FormulaC32H29NO2
Molecular Weight459.59 g/mol
Exact Mass459.22
IUPAC Name8,8-dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione
SMILESCC(C)n1c2c(c3c1-c1ccccc1C3=O)C(=O)C(Cc1ccccc1)(Cc1ccccc1)CC2
InChIInChI=1S/C32H29NO2/c1-21(2)33-26-17-18-32(19-22-11-5-3-6-12-22,20-23-13-7-4-8-14-23)31(35)27(26)28-29(33)24-15-9-10-16-25(24)30(28)34/h3-16,21H,17-20H2,1-2H3
InChIKeyMOHQOWFTKJLPON-UHFFFAOYSA-N
XLogP6.88
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8,8-dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione with MolForge

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Related Compounds

5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 24764502
5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 24826109
7-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 66637000
5(3-Phenylpropyl)-5,7,8-tetrahydroindeno[1,2-b]indol-9,10-dione
CID 24204512
5-benzyl-7-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 406584
7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 66636984
5-(1-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 24826110
5-Propan-2-yl-7,8-dihydroindeno[1,2-b]indole-6,9,10-trione
CID 73353970
7-phenyl-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 101913604
5-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 24826111
5-Benzylindeno[1,2-b]indole-6,9,10-trione
CID 24826192
5-Benzyl-5,7,8-tetrahydro-indeno[1,2-b]indole-9,10-dione
CID 406017

Frequently Asked Questions

What is the IUPAC name of 8,8-dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione?
The IUPAC name of 8,8-dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione (CID 118719585) is 8,8-dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione.
What is the SMILES notation for 8,8-dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione?
The canonical SMILES for 8,8-dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione is CC(C)n1c2c(c3c1-c1ccccc1C3=O)C(=O)C(Cc1ccccc1)(Cc1ccccc1)CC2.
What is the InChIKey of 8,8-dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione?
The InChIKey is MOHQOWFTKJLPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO2/c1-21(2)33-26-17-18-32(19-22-11-5-3-6-12-22,20-23-13-7-4-8-14-23)31(35)27(26)28-29(33)24-15-9-10-16-25(24)30(28)34/h3-16,21H,17-20H2,1-2H3.
What are the key properties of 8,8-dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione?
8,8-dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione has a molecular weight of 459.59 g/mol, XLogP of 6.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione is sourced from PubChem (CID 118719585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).