(3Z)-3-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione

C32H21N3O3 — CID 168735488

IUPAC(3Z)-3-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione
SMILESCn1c(-c2ccccc2)cc2c1nc(/C=C1\C(=O)Oc3cc4ccccc4cc3C1=O)n2-c1ccccc1
InChIInChI=1S/C32H21N3O3/c1-34-26(20-10-4-2-5-11-20)19-27-31(34)33-29(35(27)23-14-6-3-7-15-23)18-25-30(36)24-16-21-12-8-9-13-22(21)17-28(24)38-32(25)37/h2-19H,1H3/b25-18-
InChIKeySGZRVORSDVMTRA-BWAHOGKJSA-N
MW495.54 g/mol
LogP6.37
Rot. Bonds3

About (3Z)-3-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione

(3Z)-3-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione (PubChem CID 168735488) has the molecular formula C32H21N3O3 and a molecular weight of 495.54 g/mol. Its IUPAC name is (3Z)-3-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione.

Molecular Properties

Compound Name(3Z)-3-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione
PubChem CID168735488
Molecular FormulaC32H21N3O3
Molecular Weight495.54 g/mol
Exact Mass495.16
IUPAC Name(3Z)-3-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione
SMILESCn1c(-c2ccccc2)cc2c1nc(/C=C1\C(=O)Oc3cc4ccccc4cc3C1=O)n2-c1ccccc1
InChIInChI=1S/C32H21N3O3/c1-34-26(20-10-4-2-5-11-20)19-27-31(34)33-29(35(27)23-14-6-3-7-15-23)18-25-30(36)24-16-21-12-8-9-13-22(21)17-28(24)38-32(25)37/h2-19H,1H3/b25-18-
InChIKeySGZRVORSDVMTRA-BWAHOGKJSA-N
XLogP6.37
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.54
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione?
The IUPAC name of (3Z)-3-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione (CID 168735488) is (3Z)-3-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione.
What is the SMILES notation for (3Z)-3-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione?
The canonical SMILES for (3Z)-3-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione is Cn1c(-c2ccccc2)cc2c1nc(/C=C1\C(=O)Oc3cc4ccccc4cc3C1=O)n2-c1ccccc1.
What is the InChIKey of (3Z)-3-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione?
The InChIKey is SGZRVORSDVMTRA-BWAHOGKJSA-N. The full InChI is InChI=1S/C32H21N3O3/c1-34-26(20-10-4-2-5-11-20)19-27-31(34)33-29(35(27)23-14-6-3-7-15-23)18-25-30(36)24-16-21-12-8-9-13-22(21)17-28(24)38-32(25)37/h2-19H,1H3/b25-18-.
What are the key properties of (3Z)-3-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione?
(3Z)-3-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione has a molecular weight of 495.54 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-methyl-1,5-diphenylpyrrolo[2,3-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione is sourced from PubChem (CID 168735488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).