1',2-bis[(2-chlorophenyl)methyl]-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C34H24Cl2N2O4 — CID 18869848

IUPAC1',2-bis[(2-chlorophenyl)methyl]-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCc1cc2oc3c(c(=O)c2cc1C)C1(C(=O)N(Cc2ccccc2Cl)c2ccccc21)N(Cc1ccccc1Cl)C3=O
InChIInChI=1S/C34H24Cl2N2O4/c1-19-15-23-28(16-20(19)2)42-31-29(30(23)39)34(38(32(31)40)18-22-10-4-7-13-26(22)36)24-11-5-8-14-27(24)37(33(34)41)17-21-9-3-6-12-25(21)35/h3-16H,17-18H2,1-2H3
InChIKeyGAHSEOUIVUPOPE-UHFFFAOYSA-N
MW595.48 g/mol
LogP7.16
Rot. Bonds4

About 1',2-bis[(2-chlorophenyl)methyl]-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

1',2-bis[(2-chlorophenyl)methyl]-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18869848) has the molecular formula C34H24Cl2N2O4 and a molecular weight of 595.48 g/mol. Its IUPAC name is 1',2-bis[(2-chlorophenyl)methyl]-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name1',2-bis[(2-chlorophenyl)methyl]-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18869848
Molecular FormulaC34H24Cl2N2O4
Molecular Weight595.48 g/mol
Exact Mass594.11
IUPAC Name1',2-bis[(2-chlorophenyl)methyl]-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCc1cc2oc3c(c(=O)c2cc1C)C1(C(=O)N(Cc2ccccc2Cl)c2ccccc21)N(Cc1ccccc1Cl)C3=O
InChIInChI=1S/C34H24Cl2N2O4/c1-19-15-23-28(16-20(19)2)42-31-29(30(23)39)34(38(32(31)40)18-22-10-4-7-13-26(22)36)24-11-5-8-14-27(24)37(33(34)41)17-21-9-3-6-12-25(21)35/h3-16H,17-18H2,1-2H3
InChIKeyGAHSEOUIVUPOPE-UHFFFAOYSA-N
XLogP7.16
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.48
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1',2-bis[(2-chlorophenyl)methyl]-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 1',2-bis[(2-chlorophenyl)methyl]-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18869848) is 1',2-bis[(2-chlorophenyl)methyl]-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 1',2-bis[(2-chlorophenyl)methyl]-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 1',2-bis[(2-chlorophenyl)methyl]-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is Cc1cc2oc3c(c(=O)c2cc1C)C1(C(=O)N(Cc2ccccc2Cl)c2ccccc21)N(Cc1ccccc1Cl)C3=O.
What is the InChIKey of 1',2-bis[(2-chlorophenyl)methyl]-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is GAHSEOUIVUPOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24Cl2N2O4/c1-19-15-23-28(16-20(19)2)42-31-29(30(23)39)34(38(32(31)40)18-22-10-4-7-13-26(22)36)24-11-5-8-14-27(24)37(33(34)41)17-21-9-3-6-12-25(21)35/h3-16H,17-18H2,1-2H3.
What are the key properties of 1',2-bis[(2-chlorophenyl)methyl]-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
1',2-bis[(2-chlorophenyl)methyl]-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 595.48 g/mol, XLogP of 7.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1',2-bis[(2-chlorophenyl)methyl]-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18869848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).