2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]methyl-methylamino]ethyl]-4-methylphenol

C45H44N4O2 — CID 142278778

IUPAC2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]methyl-methylamino]ethyl]-4-methylphenol
SMILESCc1cc(CCN(C)CN(C)CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C45H44N4O2/c1-30-25-32(44(50)42(27-30)48-38-17-9-5-13-34(38)35-14-6-10-18-39(35)48)21-23-46(3)29-47(4)24-22-33-26-31(2)28-43(45(33)51)49-40-19-11-7-15-36(40)37-16-8-12-20-41(37)49/h5-20,25-28,50-51H,21-24,29H2,1-4H3
InChIKeyMACSJWFQYZAQTH-UHFFFAOYSA-N
MW672.87 g/mol
LogP9.52
Rot. Bonds10

About 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]methyl-methylamino]ethyl]-4-methylphenol

2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]methyl-methylamino]ethyl]-4-methylphenol (PubChem CID 142278778) has the molecular formula C45H44N4O2 and a molecular weight of 672.87 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]methyl-methylamino]ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]methyl-methylamino]ethyl]-4-methylphenol
PubChem CID142278778
Molecular FormulaC45H44N4O2
Molecular Weight672.87 g/mol
Exact Mass672.35
IUPAC Name2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]methyl-methylamino]ethyl]-4-methylphenol
SMILESCc1cc(CCN(C)CN(C)CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C45H44N4O2/c1-30-25-32(44(50)42(27-30)48-38-17-9-5-13-34(38)35-14-6-10-18-39(35)48)21-23-46(3)29-47(4)24-22-33-26-31(2)28-43(45(33)51)49-40-19-11-7-15-36(40)37-16-8-12-20-41(37)49/h5-20,25-28,50-51H,21-24,29H2,1-4H3
InChIKeyMACSJWFQYZAQTH-UHFFFAOYSA-N
XLogP9.52
TPSA56.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.87
LogP ≤ 59.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]methyl-methylamino]ethyl]-4-methylphenol 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-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]methyl-methylamino]ethyl]-4-methylphenol?
The IUPAC name of 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]methyl-methylamino]ethyl]-4-methylphenol (CID 142278778) is 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]methyl-methylamino]ethyl]-4-methylphenol.
What is the SMILES notation for 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]methyl-methylamino]ethyl]-4-methylphenol?
The canonical SMILES for 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]methyl-methylamino]ethyl]-4-methylphenol is Cc1cc(CCN(C)CN(C)CCc2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]methyl-methylamino]ethyl]-4-methylphenol?
The InChIKey is MACSJWFQYZAQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H44N4O2/c1-30-25-32(44(50)42(27-30)48-38-17-9-5-13-34(38)35-14-6-10-18-39(35)48)21-23-46(3)29-47(4)24-22-33-26-31(2)28-43(45(33)51)49-40-19-11-7-15-36(40)37-16-8-12-20-41(37)49/h5-20,25-28,50-51H,21-24,29H2,1-4H3.
What are the key properties of 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]methyl-methylamino]ethyl]-4-methylphenol?
2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]methyl-methylamino]ethyl]-4-methylphenol has a molecular weight of 672.87 g/mol, XLogP of 9.52, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-[2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)ethyl-methylamino]methyl-methylamino]ethyl]-4-methylphenol is sourced from PubChem (CID 142278778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).