1-(3-methylphenyl)-3-phenyl-4H-chromeno[4,3-b]pyrrole

C24H19NO — CID 71375820

IUPAC1-(3-methylphenyl)-3-phenyl-4H-chromeno[4,3-b]pyrrole
SMILESCc1cccc(-n2cc(-c3ccccc3)c3c2-c2ccccc2OC3)c1
InChIInChI=1S/C24H19NO/c1-17-8-7-11-19(14-17)25-15-21(18-9-3-2-4-10-18)22-16-26-23-13-6-5-12-20(23)24(22)25/h2-15H,16H2,1H3
InChIKeyQMADKXABCZTNDM-UHFFFAOYSA-N
MW337.42 g/mol
LogP6.01
Rot. Bonds2

About 1-(3-methylphenyl)-3-phenyl-4H-chromeno[4,3-b]pyrrole

1-(3-methylphenyl)-3-phenyl-4H-chromeno[4,3-b]pyrrole (PubChem CID 71375820) has the molecular formula C24H19NO and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-phenyl-4H-chromeno[4,3-b]pyrrole.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-phenyl-4H-chromeno[4,3-b]pyrrole
PubChem CID71375820
Molecular FormulaC24H19NO
Molecular Weight337.42 g/mol
Exact Mass337.15
IUPAC Name1-(3-methylphenyl)-3-phenyl-4H-chromeno[4,3-b]pyrrole
SMILESCc1cccc(-n2cc(-c3ccccc3)c3c2-c2ccccc2OC3)c1
InChIInChI=1S/C24H19NO/c1-17-8-7-11-19(14-17)25-15-21(18-9-3-2-4-10-18)22-16-26-23-13-6-5-12-20(23)24(22)25/h2-15H,16H2,1H3
InChIKeyQMADKXABCZTNDM-UHFFFAOYSA-N
XLogP6.01
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-phenyl-4H-chromeno[4,3-b]pyrrole?
The IUPAC name of 1-(3-methylphenyl)-3-phenyl-4H-chromeno[4,3-b]pyrrole (CID 71375820) is 1-(3-methylphenyl)-3-phenyl-4H-chromeno[4,3-b]pyrrole.
What is the SMILES notation for 1-(3-methylphenyl)-3-phenyl-4H-chromeno[4,3-b]pyrrole?
The canonical SMILES for 1-(3-methylphenyl)-3-phenyl-4H-chromeno[4,3-b]pyrrole is Cc1cccc(-n2cc(-c3ccccc3)c3c2-c2ccccc2OC3)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-phenyl-4H-chromeno[4,3-b]pyrrole?
The InChIKey is QMADKXABCZTNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO/c1-17-8-7-11-19(14-17)25-15-21(18-9-3-2-4-10-18)22-16-26-23-13-6-5-12-20(23)24(22)25/h2-15H,16H2,1H3.
What are the key properties of 1-(3-methylphenyl)-3-phenyl-4H-chromeno[4,3-b]pyrrole?
1-(3-methylphenyl)-3-phenyl-4H-chromeno[4,3-b]pyrrole has a molecular weight of 337.42 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-phenyl-4H-chromeno[4,3-b]pyrrole is sourced from PubChem (CID 71375820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).