5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide

C31H30N2O3 — CID 22740496

IUPAC5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide
SMILESCCCCCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(Oc4ccccc4)c3)c2c1
InChIInChI=1S/C31H30N2O3/c1-2-3-5-10-21-18-27-30(28(34)19-21)29-25(31(32)35)15-9-16-26(29)33(27)20-22-11-8-14-24(17-22)36-23-12-6-4-7-13-23/h4,6-9,11-19,34H,2-3,5,10,20H2,1H3,(H2,32,35)
InChIKeyOAGIMKBDMTUFGH-UHFFFAOYSA-N
MW478.59 g/mol
LogP7.17
Rot. Bonds9

About 5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide

5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide (PubChem CID 22740496) has the molecular formula C31H30N2O3 and a molecular weight of 478.59 g/mol. Its IUPAC name is 5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide
PubChem CID22740496
Molecular FormulaC31H30N2O3
Molecular Weight478.59 g/mol
Exact Mass478.23
IUPAC Name5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide
SMILESCCCCCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(Oc4ccccc4)c3)c2c1
InChIInChI=1S/C31H30N2O3/c1-2-3-5-10-21-18-27-30(28(34)19-21)29-25(31(32)35)15-9-16-26(29)33(27)20-22-11-8-14-24(17-22)36-23-12-6-4-7-13-23/h4,6-9,11-19,34H,2-3,5,10,20H2,1H3,(H2,32,35)
InChIKeyOAGIMKBDMTUFGH-UHFFFAOYSA-N
XLogP7.17
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-butyl-5-carbamoyl-9-[(4-phenoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 70240902
methyl 9-[(3-bromophenyl)methyl]-5-hydroxy-7-pentylcarbazole-4-carboxylate
CID 22740421
9-benzyl-5-hydroxy-7-methylcarbazole-4-carboxamide
CID 22739371
7-ethyl-9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22738776
7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
CID 174400322
7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 22738225
methyl 7-ethyl-5-hydroxy-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxylate
CID 22739554
9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide
CID 175235689
9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22739095
5-hydroxy-7-methyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 22740787
9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174414828
9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417636

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide (CID 22740496) is 5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide is CCCCCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(Oc4ccccc4)c3)c2c1.
What is the InChIKey of 5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide?
The InChIKey is OAGIMKBDMTUFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O3/c1-2-3-5-10-21-18-27-30(28(34)19-21)29-25(31(32)35)15-9-16-26(29)33(27)20-22-11-8-14-24(17-22)36-23-12-6-4-7-13-23/h4,6-9,11-19,34H,2-3,5,10,20H2,1H3,(H2,32,35).
What are the key properties of 5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide?
5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide has a molecular weight of 478.59 g/mol, XLogP of 7.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 22740496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).