9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole

C37H36N2O2 — CID 132919020

IUPAC9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
SMILESCOc1cc(Cc2ccc3c(c2)[nH]c2c4c(c(C)cc23)OC(C)(CCC=C(C)C)C=C4)cc2c1[nH]c1ccccc12
InChIInChI=1S/C37H36N2O2/c1-22(2)9-8-15-37(4)16-14-28-34-29(17-23(3)36(28)41-37)27-13-12-24(20-32(27)39-34)18-25-19-30-26-10-6-7-11-31(26)38-35(30)33(21-25)40-5/h6-7,9-14,16-17,19-21,38-39H,8,15,18H2,1-5H3
InChIKeyNWCWURSHTXVCNI-UHFFFAOYSA-N
MW540.71 g/mol
LogP9.77
Rot. Bonds6

About 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole

9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole (PubChem CID 132919020) has the molecular formula C37H36N2O2 and a molecular weight of 540.71 g/mol. Its IUPAC name is 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole.

Molecular Properties

Compound Name9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
PubChem CID132919020
Molecular FormulaC37H36N2O2
Molecular Weight540.71 g/mol
Exact Mass540.28
IUPAC Name9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
SMILESCOc1cc(Cc2ccc3c(c2)[nH]c2c4c(c(C)cc23)OC(C)(CCC=C(C)C)C=C4)cc2c1[nH]c1ccccc12
InChIInChI=1S/C37H36N2O2/c1-22(2)9-8-15-37(4)16-14-28-34-29(17-23(3)36(28)41-37)27-13-12-24(20-32(27)39-34)18-25-19-30-26-10-6-7-11-31(26)38-35(30)33(21-25)40-5/h6-7,9-14,16-17,19-21,38-39H,8,15,18H2,1-5H3
InChIKeyNWCWURSHTXVCNI-UHFFFAOYSA-N
XLogP9.77
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 59.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]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 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole?
The IUPAC name of 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole (CID 132919020) is 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole.
What is the SMILES notation for 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole?
The canonical SMILES for 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole is COc1cc(Cc2ccc3c(c2)[nH]c2c4c(c(C)cc23)OC(C)(CCC=C(C)C)C=C4)cc2c1[nH]c1ccccc12.
What is the InChIKey of 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole?
The InChIKey is NWCWURSHTXVCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N2O2/c1-22(2)9-8-15-37(4)16-14-28-34-29(17-23(3)36(28)41-37)27-13-12-24(20-32(27)39-34)18-25-19-30-26-10-6-7-11-31(26)38-35(30)33(21-25)40-5/h6-7,9-14,16-17,19-21,38-39H,8,15,18H2,1-5H3.
What are the key properties of 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole?
9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole has a molecular weight of 540.71 g/mol, XLogP of 9.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole is sourced from PubChem (CID 132919020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).