7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C35H28N2O4 — CID 18869372

IUPAC7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCc1ccc2oc3c(c(=O)c2c1)C1(C(=O)N(Cc2ccccc2C)c2ccccc21)N(CCc1ccccc1)C3=O
InChIInChI=1S/C35H28N2O4/c1-22-16-17-29-26(20-22)31(38)30-32(41-29)33(39)37(19-18-24-11-4-3-5-12-24)35(30)27-14-8-9-15-28(27)36(34(35)40)21-25-13-7-6-10-23(25)2/h3-17,20H,18-19,21H2,1-2H3
InChIKeyOBMQXGIFFRKQKZ-UHFFFAOYSA-N
MW540.62 g/mol
LogP5.90
Rot. Bonds5

About 7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18869372) has the molecular formula C35H28N2O4 and a molecular weight of 540.62 g/mol. Its IUPAC name is 7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18869372
Molecular FormulaC35H28N2O4
Molecular Weight540.62 g/mol
Exact Mass540.20
IUPAC Name7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCc1ccc2oc3c(c(=O)c2c1)C1(C(=O)N(Cc2ccccc2C)c2ccccc21)N(CCc1ccccc1)C3=O
InChIInChI=1S/C35H28N2O4/c1-22-16-17-29-26(20-22)31(38)30-32(41-29)33(39)37(19-18-24-11-4-3-5-12-24)35(30)27-14-8-9-15-28(27)36(34(35)40)21-25-13-7-6-10-23(25)2/h3-17,20H,18-19,21H2,1-2H3
InChIKeyOBMQXGIFFRKQKZ-UHFFFAOYSA-N
XLogP5.90
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.62
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18869372) is 7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is Cc1ccc2oc3c(c(=O)c2c1)C1(C(=O)N(Cc2ccccc2C)c2ccccc21)N(CCc1ccccc1)C3=O.
What is the InChIKey of 7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is OBMQXGIFFRKQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2O4/c1-22-16-17-29-26(20-22)31(38)30-32(41-29)33(39)37(19-18-24-11-4-3-5-12-24)35(30)27-14-8-9-15-28(27)36(34(35)40)21-25-13-7-6-10-23(25)2/h3-17,20H,18-19,21H2,1-2H3.
What are the key properties of 7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 540.62 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18869372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).