5-benzyl-8,10,10-trimethyl-2,3-dihydroindeno[1,2-b]indole

C25H25N — CID 145198667

IUPAC5-benzyl-8,10,10-trimethyl-2,3-dihydroindeno[1,2-b]indole
SMILESCc1ccc2c(c1)c1c(n2Cc2ccccc2)C2=CCCC=C2C1(C)C
InChIInChI=1S/C25H25N/c1-17-13-14-22-20(15-17)23-24(26(22)16-18-9-5-4-6-10-18)19-11-7-8-12-21(19)25(23,2)3/h4-6,9-15H,7-8,16H2,1-3H3
InChIKeyTXOQKZQSCMXOHB-UHFFFAOYSA-N
MW339.48 g/mol
LogP6.39
Rot. Bonds2

About 5-benzyl-8,10,10-trimethyl-2,3-dihydroindeno[1,2-b]indole

5-benzyl-8,10,10-trimethyl-2,3-dihydroindeno[1,2-b]indole (PubChem CID 145198667) has the molecular formula C25H25N and a molecular weight of 339.48 g/mol. Its IUPAC name is 5-benzyl-8,10,10-trimethyl-2,3-dihydroindeno[1,2-b]indole.

Molecular Properties

Compound Name5-benzyl-8,10,10-trimethyl-2,3-dihydroindeno[1,2-b]indole
PubChem CID145198667
Molecular FormulaC25H25N
Molecular Weight339.48 g/mol
Exact Mass339.20
IUPAC Name5-benzyl-8,10,10-trimethyl-2,3-dihydroindeno[1,2-b]indole
SMILESCc1ccc2c(c1)c1c(n2Cc2ccccc2)C2=CCCC=C2C1(C)C
InChIInChI=1S/C25H25N/c1-17-13-14-22-20(15-17)23-24(26(22)16-18-9-5-4-6-10-18)19-11-7-8-12-21(19)25(23,2)3/h4-6,9-15H,7-8,16H2,1-3H3
InChIKeyTXOQKZQSCMXOHB-UHFFFAOYSA-N
XLogP6.39
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-8,10,10-trimethyl-2,3-dihydroindeno[1,2-b]indole?
The IUPAC name of 5-benzyl-8,10,10-trimethyl-2,3-dihydroindeno[1,2-b]indole (CID 145198667) is 5-benzyl-8,10,10-trimethyl-2,3-dihydroindeno[1,2-b]indole.
What is the SMILES notation for 5-benzyl-8,10,10-trimethyl-2,3-dihydroindeno[1,2-b]indole?
The canonical SMILES for 5-benzyl-8,10,10-trimethyl-2,3-dihydroindeno[1,2-b]indole is Cc1ccc2c(c1)c1c(n2Cc2ccccc2)C2=CCCC=C2C1(C)C.
What is the InChIKey of 5-benzyl-8,10,10-trimethyl-2,3-dihydroindeno[1,2-b]indole?
The InChIKey is TXOQKZQSCMXOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N/c1-17-13-14-22-20(15-17)23-24(26(22)16-18-9-5-4-6-10-18)19-11-7-8-12-21(19)25(23,2)3/h4-6,9-15H,7-8,16H2,1-3H3.
What are the key properties of 5-benzyl-8,10,10-trimethyl-2,3-dihydroindeno[1,2-b]indole?
5-benzyl-8,10,10-trimethyl-2,3-dihydroindeno[1,2-b]indole has a molecular weight of 339.48 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-8,10,10-trimethyl-2,3-dihydroindeno[1,2-b]indole is sourced from PubChem (CID 145198667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).