methyl 8-cyano-5-methyl-10-phenylindeno[1,2-b]indole-10-carboxylate

C25H18N2O2 — CID 175158008

IUPACmethyl 8-cyano-5-methyl-10-phenylindeno[1,2-b]indole-10-carboxylate
SMILESCOC(=O)C1(c2ccccc2)c2ccccc2-c2c1c1cc(C#N)ccc1n2C
InChIInChI=1S/C25H18N2O2/c1-27-21-13-12-16(15-26)14-19(21)22-23(27)18-10-6-7-11-20(18)25(22,24(28)29-2)17-8-4-3-5-9-17/h3-14H,1-2H3
InChIKeyBGMPXCRIGJQVMC-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.54
Rot. Bonds2

About methyl 8-cyano-5-methyl-10-phenylindeno[1,2-b]indole-10-carboxylate

methyl 8-cyano-5-methyl-10-phenylindeno[1,2-b]indole-10-carboxylate (PubChem CID 175158008) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is methyl 8-cyano-5-methyl-10-phenylindeno[1,2-b]indole-10-carboxylate.

Molecular Properties

Compound Namemethyl 8-cyano-5-methyl-10-phenylindeno[1,2-b]indole-10-carboxylate
PubChem CID175158008
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Namemethyl 8-cyano-5-methyl-10-phenylindeno[1,2-b]indole-10-carboxylate
SMILESCOC(=O)C1(c2ccccc2)c2ccccc2-c2c1c1cc(C#N)ccc1n2C
InChIInChI=1S/C25H18N2O2/c1-27-21-13-12-16(15-26)14-19(21)22-23(27)18-10-6-7-11-20(18)25(22,24(28)29-2)17-8-4-3-5-9-17/h3-14H,1-2H3
InChIKeyBGMPXCRIGJQVMC-UHFFFAOYSA-N
XLogP4.54
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 8-cyano-5-methyl-10-phenylindeno[1,2-b]indole-10-carboxylate?
The IUPAC name of methyl 8-cyano-5-methyl-10-phenylindeno[1,2-b]indole-10-carboxylate (CID 175158008) is methyl 8-cyano-5-methyl-10-phenylindeno[1,2-b]indole-10-carboxylate.
What is the SMILES notation for methyl 8-cyano-5-methyl-10-phenylindeno[1,2-b]indole-10-carboxylate?
The canonical SMILES for methyl 8-cyano-5-methyl-10-phenylindeno[1,2-b]indole-10-carboxylate is COC(=O)C1(c2ccccc2)c2ccccc2-c2c1c1cc(C#N)ccc1n2C.
What is the InChIKey of methyl 8-cyano-5-methyl-10-phenylindeno[1,2-b]indole-10-carboxylate?
The InChIKey is BGMPXCRIGJQVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c1-27-21-13-12-16(15-26)14-19(21)22-23(27)18-10-6-7-11-20(18)25(22,24(28)29-2)17-8-4-3-5-9-17/h3-14H,1-2H3.
What are the key properties of methyl 8-cyano-5-methyl-10-phenylindeno[1,2-b]indole-10-carboxylate?
methyl 8-cyano-5-methyl-10-phenylindeno[1,2-b]indole-10-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-cyano-5-methyl-10-phenylindeno[1,2-b]indole-10-carboxylate is sourced from PubChem (CID 175158008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).