2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,5'-tetracyclo[7.3.1.04,11.06,11]tridecane]

C28H33N — CID 162297013

IUPAC2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,5'-tetracyclo[7.3.1.04,11.06,11]tridecane]
SMILESCc1ccccc1N1c2ccccc2C2(C1C)C1CCC3CC4CCC2C1(C3)C4
InChIInChI=1S/C28H33N/c1-18-7-3-5-9-23(18)29-19(2)28(22-8-4-6-10-24(22)29)25-13-11-20-15-21-12-14-26(28)27(25,16-20)17-21/h3-10,19-21,25-26H,11-17H2,1-2H3
InChIKeyLJYXQHQJPFRFGZ-UHFFFAOYSA-N
MW383.58 g/mol
LogP7.01
Rot. Bonds1

About 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,5'-tetracyclo[7.3.1.04,11.06,11]tridecane]

2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,5'-tetracyclo[7.3.1.04,11.06,11]tridecane] (PubChem CID 162297013) has the molecular formula C28H33N and a molecular weight of 383.58 g/mol. Its IUPAC name is 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,5'-tetracyclo[7.3.1.04,11.06,11]tridecane].

Molecular Properties

Compound Name2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,5'-tetracyclo[7.3.1.04,11.06,11]tridecane]
PubChem CID162297013
Molecular FormulaC28H33N
Molecular Weight383.58 g/mol
Exact Mass383.26
IUPAC Name2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,5'-tetracyclo[7.3.1.04,11.06,11]tridecane]
SMILESCc1ccccc1N1c2ccccc2C2(C1C)C1CCC3CC4CCC2C1(C3)C4
InChIInChI=1S/C28H33N/c1-18-7-3-5-9-23(18)29-19(2)28(22-8-4-6-10-24(22)29)25-13-11-20-15-21-12-14-26(28)27(25,16-20)17-21/h3-10,19-21,25-26H,11-17H2,1-2H3
InChIKeyLJYXQHQJPFRFGZ-UHFFFAOYSA-N
XLogP7.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,5'-tetracyclo[7.3.1.04,11.06,11]tridecane]?
The IUPAC name of 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,5'-tetracyclo[7.3.1.04,11.06,11]tridecane] (CID 162297013) is 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,5'-tetracyclo[7.3.1.04,11.06,11]tridecane].
What is the SMILES notation for 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,5'-tetracyclo[7.3.1.04,11.06,11]tridecane]?
The canonical SMILES for 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,5'-tetracyclo[7.3.1.04,11.06,11]tridecane] is Cc1ccccc1N1c2ccccc2C2(C1C)C1CCC3CC4CCC2C1(C3)C4.
What is the InChIKey of 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,5'-tetracyclo[7.3.1.04,11.06,11]tridecane]?
The InChIKey is LJYXQHQJPFRFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N/c1-18-7-3-5-9-23(18)29-19(2)28(22-8-4-6-10-24(22)29)25-13-11-20-15-21-12-14-26(28)27(25,16-20)17-21/h3-10,19-21,25-26H,11-17H2,1-2H3.
What are the key properties of 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,5'-tetracyclo[7.3.1.04,11.06,11]tridecane]?
2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,5'-tetracyclo[7.3.1.04,11.06,11]tridecane] has a molecular weight of 383.58 g/mol, XLogP of 7.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,5'-tetracyclo[7.3.1.04,11.06,11]tridecane] is sourced from PubChem (CID 162297013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).