2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione

C38H36N2O3 — CID 146554670

IUPAC2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione
SMILESCCn1c(C=C2C(=O)c3ccccc3C2=O)cc2oc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21
InChIInChI=1S/C38H36N2O3/c1-8-39-24(19-29-35(41)25-11-9-10-12-26(25)36(29)42)20-33-32(39)21-34(43-33)40-30-15-13-22(37(2,3)4)17-27(30)28-18-23(38(5,6)7)14-16-31(28)40/h9-21H,8H2,1-7H3
InChIKeyIEWFBRZXBQKBPO-UHFFFAOYSA-N
MW568.72 g/mol
LogP9.41
Rot. Bonds3

About 2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione

2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione (PubChem CID 146554670) has the molecular formula C38H36N2O3 and a molecular weight of 568.72 g/mol. Its IUPAC name is 2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione
PubChem CID146554670
Molecular FormulaC38H36N2O3
Molecular Weight568.72 g/mol
Exact Mass568.27
IUPAC Name2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione
SMILESCCn1c(C=C2C(=O)c3ccccc3C2=O)cc2oc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21
InChIInChI=1S/C38H36N2O3/c1-8-39-24(19-29-35(41)25-11-9-10-12-26(25)36(29)42)20-33-32(39)21-34(43-33)40-30-15-13-22(37(2,3)4)17-27(30)28-18-23(38(5,6)7)14-16-31(28)40/h9-21H,8H2,1-7H3
InChIKeyIEWFBRZXBQKBPO-UHFFFAOYSA-N
XLogP9.41
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.72
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione?
The IUPAC name of 2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione (CID 146554670) is 2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione?
The canonical SMILES for 2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione is CCn1c(C=C2C(=O)c3ccccc3C2=O)cc2oc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21.
What is the InChIKey of 2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione?
The InChIKey is IEWFBRZXBQKBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N2O3/c1-8-39-24(19-29-35(41)25-11-9-10-12-26(25)36(29)42)20-33-32(39)21-34(43-33)40-30-15-13-22(37(2,3)4)17-27(30)28-18-23(38(5,6)7)14-16-31(28)40/h9-21H,8H2,1-7H3.
What are the key properties of 2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione?
2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione has a molecular weight of 568.72 g/mol, XLogP of 9.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione is sourced from PubChem (CID 146554670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).