(3Z)-3-[(6-methyl-3,5-diphenylimidazo[4,5-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione

C31H20N4O3 — CID 168735987

IUPAC(3Z)-3-[(6-methyl-3,5-diphenylimidazo[4,5-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione
SMILESCn1c(-c2ccccc2)nc2c1nc(/C=C1\C(=O)Oc3cc4ccccc4cc3C1=O)n2-c1ccccc1
InChIInChI=1S/C31H20N4O3/c1-34-28(19-10-4-2-5-11-19)33-30-29(34)32-26(35(30)22-14-6-3-7-15-22)18-24-27(36)23-16-20-12-8-9-13-21(20)17-25(23)38-31(24)37/h2-18H,1H3/b24-18-
InChIKeyFZJMPCGXSDLZAY-MOHJPFBDSA-N
MW496.53 g/mol
LogP5.76
Rot. Bonds3

About (3Z)-3-[(6-methyl-3,5-diphenylimidazo[4,5-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione

(3Z)-3-[(6-methyl-3,5-diphenylimidazo[4,5-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione (PubChem CID 168735987) has the molecular formula C31H20N4O3 and a molecular weight of 496.53 g/mol. Its IUPAC name is (3Z)-3-[(6-methyl-3,5-diphenylimidazo[4,5-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione.

Molecular Properties

Compound Name(3Z)-3-[(6-methyl-3,5-diphenylimidazo[4,5-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione
PubChem CID168735987
Molecular FormulaC31H20N4O3
Molecular Weight496.53 g/mol
Exact Mass496.15
IUPAC Name(3Z)-3-[(6-methyl-3,5-diphenylimidazo[4,5-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione
SMILESCn1c(-c2ccccc2)nc2c1nc(/C=C1\C(=O)Oc3cc4ccccc4cc3C1=O)n2-c1ccccc1
InChIInChI=1S/C31H20N4O3/c1-34-28(19-10-4-2-5-11-19)33-30-29(34)32-26(35(30)22-14-6-3-7-15-22)18-24-27(36)23-16-20-12-8-9-13-21(20)17-25(23)38-31(24)37/h2-18H,1H3/b24-18-
InChIKeyFZJMPCGXSDLZAY-MOHJPFBDSA-N
XLogP5.76
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.53
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[(6-methyl-3,5-diphenylimidazo[4,5-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione?
The IUPAC name of (3Z)-3-[(6-methyl-3,5-diphenylimidazo[4,5-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione (CID 168735987) is (3Z)-3-[(6-methyl-3,5-diphenylimidazo[4,5-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione.
What is the SMILES notation for (3Z)-3-[(6-methyl-3,5-diphenylimidazo[4,5-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione?
The canonical SMILES for (3Z)-3-[(6-methyl-3,5-diphenylimidazo[4,5-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione is Cn1c(-c2ccccc2)nc2c1nc(/C=C1\C(=O)Oc3cc4ccccc4cc3C1=O)n2-c1ccccc1.
What is the InChIKey of (3Z)-3-[(6-methyl-3,5-diphenylimidazo[4,5-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione?
The InChIKey is FZJMPCGXSDLZAY-MOHJPFBDSA-N. The full InChI is InChI=1S/C31H20N4O3/c1-34-28(19-10-4-2-5-11-19)33-30-29(34)32-26(35(30)22-14-6-3-7-15-22)18-24-27(36)23-16-20-12-8-9-13-21(20)17-25(23)38-31(24)37/h2-18H,1H3/b24-18-.
What are the key properties of (3Z)-3-[(6-methyl-3,5-diphenylimidazo[4,5-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione?
(3Z)-3-[(6-methyl-3,5-diphenylimidazo[4,5-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione has a molecular weight of 496.53 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(6-methyl-3,5-diphenylimidazo[4,5-d]imidazol-2-yl)methylidene]benzo[g]chromene-2,4-dione is sourced from PubChem (CID 168735987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).