2-[[2-[[(2-amino-3-carbazol-9-ylphenyl)methylideneamino]methyl]phenyl]iminomethyl]-6-carbazol-9-ylphenol

C45H33N5O — CID 144762645

IUPAC2-[[2-[[(2-amino-3-carbazol-9-ylphenyl)methylideneamino]methyl]phenyl]iminomethyl]-6-carbazol-9-ylphenol
SMILESNc1c(/C=N/Cc2ccccc2/N=C/c2cccc(-n3c4ccccc4c4ccccc43)c2O)cccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C45H33N5O/c46-44-31(14-11-25-42(44)49-38-21-7-2-16-33(38)34-17-3-8-22-39(34)49)28-47-27-30-13-1-6-20-37(30)48-29-32-15-12-26-43(45(32)51)50-40-23-9-4-18-35(40)36-19-5-10-24-41(36)50/h1-26,28-29,51H,27,46H2/b47-28+,48-29+
InChIKeyNRLYHJNVGWCEQI-QVGOGAJUSA-N
MW659.79 g/mol
LogP10.54
Rot. Bonds7

About 2-[[2-[[(2-amino-3-carbazol-9-ylphenyl)methylideneamino]methyl]phenyl]iminomethyl]-6-carbazol-9-ylphenol

2-[[2-[[(2-amino-3-carbazol-9-ylphenyl)methylideneamino]methyl]phenyl]iminomethyl]-6-carbazol-9-ylphenol (PubChem CID 144762645) has the molecular formula C45H33N5O and a molecular weight of 659.79 g/mol. Its IUPAC name is 2-[[2-[[(2-amino-3-carbazol-9-ylphenyl)methylideneamino]methyl]phenyl]iminomethyl]-6-carbazol-9-ylphenol.

Molecular Properties

Compound Name2-[[2-[[(2-amino-3-carbazol-9-ylphenyl)methylideneamino]methyl]phenyl]iminomethyl]-6-carbazol-9-ylphenol
PubChem CID144762645
Molecular FormulaC45H33N5O
Molecular Weight659.79 g/mol
Exact Mass659.27
IUPAC Name2-[[2-[[(2-amino-3-carbazol-9-ylphenyl)methylideneamino]methyl]phenyl]iminomethyl]-6-carbazol-9-ylphenol
SMILESNc1c(/C=N/Cc2ccccc2/N=C/c2cccc(-n3c4ccccc4c4ccccc43)c2O)cccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C45H33N5O/c46-44-31(14-11-25-42(44)49-38-21-7-2-16-33(38)34-17-3-8-22-39(34)49)28-47-27-30-13-1-6-20-37(30)48-29-32-15-12-26-43(45(32)51)50-40-23-9-4-18-35(40)36-19-5-10-24-41(36)50/h1-26,28-29,51H,27,46H2/b47-28+,48-29+
InChIKeyNRLYHJNVGWCEQI-QVGOGAJUSA-N
XLogP10.54
TPSA80.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.79
LogP ≤ 510.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[2-[[(2-amino-3-carbazol-9-ylphenyl)methylideneamino]methyl]phenyl]iminomethyl]-6-carbazol-9-ylphenol 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-[[(2-amino-3-carbazol-9-ylphenyl)methylideneamino]methyl]phenyl]iminomethyl]-6-carbazol-9-ylphenol?
The IUPAC name of 2-[[2-[[(2-amino-3-carbazol-9-ylphenyl)methylideneamino]methyl]phenyl]iminomethyl]-6-carbazol-9-ylphenol (CID 144762645) is 2-[[2-[[(2-amino-3-carbazol-9-ylphenyl)methylideneamino]methyl]phenyl]iminomethyl]-6-carbazol-9-ylphenol.
What is the SMILES notation for 2-[[2-[[(2-amino-3-carbazol-9-ylphenyl)methylideneamino]methyl]phenyl]iminomethyl]-6-carbazol-9-ylphenol?
The canonical SMILES for 2-[[2-[[(2-amino-3-carbazol-9-ylphenyl)methylideneamino]methyl]phenyl]iminomethyl]-6-carbazol-9-ylphenol is Nc1c(/C=N/Cc2ccccc2/N=C/c2cccc(-n3c4ccccc4c4ccccc43)c2O)cccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-[[2-[[(2-amino-3-carbazol-9-ylphenyl)methylideneamino]methyl]phenyl]iminomethyl]-6-carbazol-9-ylphenol?
The InChIKey is NRLYHJNVGWCEQI-QVGOGAJUSA-N. The full InChI is InChI=1S/C45H33N5O/c46-44-31(14-11-25-42(44)49-38-21-7-2-16-33(38)34-17-3-8-22-39(34)49)28-47-27-30-13-1-6-20-37(30)48-29-32-15-12-26-43(45(32)51)50-40-23-9-4-18-35(40)36-19-5-10-24-41(36)50/h1-26,28-29,51H,27,46H2/b47-28+,48-29+.
What are the key properties of 2-[[2-[[(2-amino-3-carbazol-9-ylphenyl)methylideneamino]methyl]phenyl]iminomethyl]-6-carbazol-9-ylphenol?
2-[[2-[[(2-amino-3-carbazol-9-ylphenyl)methylideneamino]methyl]phenyl]iminomethyl]-6-carbazol-9-ylphenol has a molecular weight of 659.79 g/mol, XLogP of 10.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(2-amino-3-carbazol-9-ylphenyl)methylideneamino]methyl]phenyl]iminomethyl]-6-carbazol-9-ylphenol is sourced from PubChem (CID 144762645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).