methyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate

C27H21NO3 — CID 22738163

IUPACmethyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c1c(O)cccc1n2Cc1ccccc1-c1ccccc1
InChIInChI=1S/C27H21NO3/c1-31-27(30)21-13-7-14-22-25(21)26-23(15-8-16-24(26)29)28(22)17-19-11-5-6-12-20(19)18-9-3-2-4-10-18/h2-16,29H,17H2,1H3
InChIKeyPSMRXSIQLZUHLF-UHFFFAOYSA-N
MW407.47 g/mol
LogP6.00
Rot. Bonds4

About methyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate

methyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate (PubChem CID 22738163) has the molecular formula C27H21NO3 and a molecular weight of 407.47 g/mol. Its IUPAC name is methyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate
PubChem CID22738163
Molecular FormulaC27H21NO3
Molecular Weight407.47 g/mol
Exact Mass407.15
IUPAC Namemethyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c1c(O)cccc1n2Cc1ccccc1-c1ccccc1
InChIInChI=1S/C27H21NO3/c1-31-27(30)21-13-7-14-22-25(21)26-23(15-8-16-24(26)29)28(22)17-19-11-5-6-12-20(19)18-9-3-2-4-10-18/h2-16,29H,17H2,1H3
InChIKeyPSMRXSIQLZUHLF-UHFFFAOYSA-N
XLogP6.00
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-7-phenyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 22741264
methyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate
CID 22738295
methyl 7-ethyl-9-[(2-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate
CID 22738994
methyl 7-ethyl-5-hydroxy-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxylate
CID 22739554
[5-carbamoyl-9-[(2-phenylphenyl)methyl]carbazol-4-yl] ethaneperoxoate
CID 175098119
methyl 9-benzyl-6,7-diethyl-5-hydroxycarbazole-4-carboxylate
CID 142148686
7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 174418413
2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]acetohydrazide
CID 10597071
methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
2-[3-oxamoyl-1-[(2-phenylphenyl)methyl]-2-propylindol-4-yl]-2-oxoacetic acid
CID 22359335
2-[4-methoxy-2-methyl-1-[(2-phenylphenyl)methyl]indol-3-yl]-N-methylideneacetamide
CID 147162606
7-(4-chlorophenyl)-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 175233517

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate?
The IUPAC name of methyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate (CID 22738163) is methyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate.
What is the SMILES notation for methyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate?
The canonical SMILES for methyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate is COC(=O)c1cccc2c1c1c(O)cccc1n2Cc1ccccc1-c1ccccc1.
What is the InChIKey of methyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate?
The InChIKey is PSMRXSIQLZUHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO3/c1-31-27(30)21-13-7-14-22-25(21)26-23(15-8-16-24(26)29)28(22)17-19-11-5-6-12-20(19)18-9-3-2-4-10-18/h2-16,29H,17H2,1H3.
What are the key properties of methyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate?
methyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate is sourced from PubChem (CID 22738163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).