2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine

C22H18N2O2 — CID 144963426

IUPAC2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C#CN)cc1
InChIInChI=1S/C22H18N2O2/c1-25-17-7-9-21-19(13-17)20-14-18(26-2)8-10-22(20)24(21)16-5-3-15(4-6-16)11-12-23/h3-10,13-14H,23H2,1-2H3
InChIKeyZKIIRNXWTVCBEG-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.07
Rot. Bonds3

About 2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine

2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine (PubChem CID 144963426) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine.

Molecular Properties

Compound Name2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine
PubChem CID144963426
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C#CN)cc1
InChIInChI=1S/C22H18N2O2/c1-25-17-7-9-21-19(13-17)20-14-18(26-2)8-10-22(20)24(21)16-5-3-15(4-6-16)11-12-23/h3-10,13-14H,23H2,1-2H3
InChIKeyZKIIRNXWTVCBEG-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine with MolForge

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

Launch Full Analysis

Related Compounds

2-[1,5-bis[4-(3,6-dimethoxycarbazol-9-yl)phenyl]penta-1,4-diyn-3-ylidene]propanedinitrile
CID 126727996
3-[2-(4-methoxyphenyl)ethynyl]-9-[4-[3-[2-(4-methoxyphenyl)ethynyl]carbazol-9-yl]phenyl]carbazole
CID 132541703
9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole
CID 102501800
3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole
CID 144918544
4-[4-[tris[4-(3,6-dimethoxycarbazol-9-yl)phenyl]methyl]phenyl]benzonitrile
CID 122429682
9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole
CID 177244536
9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole
CID 146530442
9-(4-methoxyphenyl)-2,7-dimethylcarbazole
CID 129212267
9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde
CID 148796534
9-(4-methoxyphenyl)-3,6-dipropylcarbazole
CID 154963806
2-[2-cyano-4-(3-methoxycarbazol-9-yl)phenyl]-5-(3-methoxycarbazol-9-yl)benzonitrile
CID 138735973
2-[2-cyano-5-(3-methoxycarbazol-9-yl)phenyl]-4-(3-methoxycarbazol-9-yl)benzonitrile
CID 138749753

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine?
The IUPAC name of 2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine (CID 144963426) is 2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine.
What is the SMILES notation for 2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine?
The canonical SMILES for 2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C#CN)cc1.
What is the InChIKey of 2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine?
The InChIKey is ZKIIRNXWTVCBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-25-17-7-9-21-19(13-17)20-14-18(26-2)8-10-22(20)24(21)16-5-3-15(4-6-16)11-12-23/h3-10,13-14H,23H2,1-2H3.
What are the key properties of 2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine?
2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine has a molecular weight of 342.40 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine is sourced from PubChem (CID 144963426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).