2,4,4-trimethyl-3-[7-(2,4,4-trimethyl-2H-carbazol-3-ylidene)hepta-1,3,5-trienyl]carbazole

C37H36N2 — CID 87909884

IUPAC2,4,4-trimethyl-3-[7-(2,4,4-trimethyl-2H-carbazol-3-ylidene)hepta-1,3,5-trienyl]carbazole
SMILESCC1=C(C=CC=CC=CC=C2C(C)C=C3N=c4ccccc4=C3C2(C)C)C(C)(C)C2=c3ccccc3=NC2=C1
InChIInChI=1S/C37H36N2/c1-24-22-32-34(26-16-12-14-20-30(26)38-32)36(3,4)28(24)18-10-8-7-9-11-19-29-25(2)23-33-35(37(29,5)6)27-17-13-15-21-31(27)39-33/h7-24H,1-6H3
InChIKeyAYGSSCUFIBOFMU-UHFFFAOYSA-N
MW508.71 g/mol
LogP6.35
Rot. Bonds4

About 2,4,4-trimethyl-3-[7-(2,4,4-trimethyl-2H-carbazol-3-ylidene)hepta-1,3,5-trienyl]carbazole

2,4,4-trimethyl-3-[7-(2,4,4-trimethyl-2H-carbazol-3-ylidene)hepta-1,3,5-trienyl]carbazole (PubChem CID 87909884) has the molecular formula C37H36N2 and a molecular weight of 508.71 g/mol. Its IUPAC name is 2,4,4-trimethyl-3-[7-(2,4,4-trimethyl-2H-carbazol-3-ylidene)hepta-1,3,5-trienyl]carbazole.

Molecular Properties

Compound Name2,4,4-trimethyl-3-[7-(2,4,4-trimethyl-2H-carbazol-3-ylidene)hepta-1,3,5-trienyl]carbazole
PubChem CID87909884
Molecular FormulaC37H36N2
Molecular Weight508.71 g/mol
Exact Mass508.29
IUPAC Name2,4,4-trimethyl-3-[7-(2,4,4-trimethyl-2H-carbazol-3-ylidene)hepta-1,3,5-trienyl]carbazole
SMILESCC1=C(C=CC=CC=CC=C2C(C)C=C3N=c4ccccc4=C3C2(C)C)C(C)(C)C2=c3ccccc3=NC2=C1
InChIInChI=1S/C37H36N2/c1-24-22-32-34(26-16-12-14-20-30(26)38-32)36(3,4)28(24)18-10-8-7-9-11-19-29-25(2)23-33-35(37(29,5)6)27-17-13-15-21-31(27)39-33/h7-24H,1-6H3
InChIKeyAYGSSCUFIBOFMU-UHFFFAOYSA-N
XLogP6.35
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.71
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2,4,4-trimethyl-3-[7-(2,4,4-trimethyl-2H-carbazol-3-ylidene)hepta-1,3,5-trienyl]carbazole 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 2,4,4-trimethyl-3-[7-(2,4,4-trimethyl-2H-carbazol-3-ylidene)hepta-1,3,5-trienyl]carbazole?
The IUPAC name of 2,4,4-trimethyl-3-[7-(2,4,4-trimethyl-2H-carbazol-3-ylidene)hepta-1,3,5-trienyl]carbazole (CID 87909884) is 2,4,4-trimethyl-3-[7-(2,4,4-trimethyl-2H-carbazol-3-ylidene)hepta-1,3,5-trienyl]carbazole.
What is the SMILES notation for 2,4,4-trimethyl-3-[7-(2,4,4-trimethyl-2H-carbazol-3-ylidene)hepta-1,3,5-trienyl]carbazole?
The canonical SMILES for 2,4,4-trimethyl-3-[7-(2,4,4-trimethyl-2H-carbazol-3-ylidene)hepta-1,3,5-trienyl]carbazole is CC1=C(C=CC=CC=CC=C2C(C)C=C3N=c4ccccc4=C3C2(C)C)C(C)(C)C2=c3ccccc3=NC2=C1.
What is the InChIKey of 2,4,4-trimethyl-3-[7-(2,4,4-trimethyl-2H-carbazol-3-ylidene)hepta-1,3,5-trienyl]carbazole?
The InChIKey is AYGSSCUFIBOFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N2/c1-24-22-32-34(26-16-12-14-20-30(26)38-32)36(3,4)28(24)18-10-8-7-9-11-19-29-25(2)23-33-35(37(29,5)6)27-17-13-15-21-31(27)39-33/h7-24H,1-6H3.
What are the key properties of 2,4,4-trimethyl-3-[7-(2,4,4-trimethyl-2H-carbazol-3-ylidene)hepta-1,3,5-trienyl]carbazole?
2,4,4-trimethyl-3-[7-(2,4,4-trimethyl-2H-carbazol-3-ylidene)hepta-1,3,5-trienyl]carbazole has a molecular weight of 508.71 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-3-[7-(2,4,4-trimethyl-2H-carbazol-3-ylidene)hepta-1,3,5-trienyl]carbazole is sourced from PubChem (CID 87909884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).