N-(3-carbazol-9-ylpropyl)-9H-xanthene-9-carboxamide

C29H24N2O2 — CID 16765049

IUPACN-(3-carbazol-9-ylpropyl)-9H-xanthene-9-carboxamide
SMILESO=C(NCCCn1c2ccccc2c2ccccc21)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C29H24N2O2/c32-29(28-22-12-3-7-16-26(22)33-27-17-8-4-13-23(27)28)30-18-9-19-31-24-14-5-1-10-20(24)21-11-2-6-15-25(21)31/h1-8,10-17,28H,9,18-19H2,(H,30,32)
InChIKeyQBXMVKIOKIGJEP-UHFFFAOYSA-N
MW432.52 g/mol
LogP6.24
Rot. Bonds5

About N-(3-carbazol-9-ylpropyl)-9H-xanthene-9-carboxamide

N-(3-carbazol-9-ylpropyl)-9H-xanthene-9-carboxamide (PubChem CID 16765049) has the molecular formula C29H24N2O2 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-(3-carbazol-9-ylpropyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(3-carbazol-9-ylpropyl)-9H-xanthene-9-carboxamide
PubChem CID16765049
Molecular FormulaC29H24N2O2
Molecular Weight432.52 g/mol
Exact Mass432.18
IUPAC NameN-(3-carbazol-9-ylpropyl)-9H-xanthene-9-carboxamide
SMILESO=C(NCCCn1c2ccccc2c2ccccc21)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C29H24N2O2/c32-29(28-22-12-3-7-16-26(22)33-27-17-8-4-13-23(27)28)30-18-9-19-31-24-14-5-1-10-20(24)21-11-2-6-15-25(21)31/h1-8,10-17,28H,9,18-19H2,(H,30,32)
InChIKeyQBXMVKIOKIGJEP-UHFFFAOYSA-N
XLogP6.24
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylpropyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(3-carbazol-9-ylpropyl)-9H-xanthene-9-carboxamide (CID 16765049) is N-(3-carbazol-9-ylpropyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(3-carbazol-9-ylpropyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(3-carbazol-9-ylpropyl)-9H-xanthene-9-carboxamide is O=C(NCCCn1c2ccccc2c2ccccc21)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(3-carbazol-9-ylpropyl)-9H-xanthene-9-carboxamide?
The InChIKey is QBXMVKIOKIGJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O2/c32-29(28-22-12-3-7-16-26(22)33-27-17-8-4-13-23(27)28)30-18-9-19-31-24-14-5-1-10-20(24)21-11-2-6-15-25(21)31/h1-8,10-17,28H,9,18-19H2,(H,30,32).
What are the key properties of N-(3-carbazol-9-ylpropyl)-9H-xanthene-9-carboxamide?
N-(3-carbazol-9-ylpropyl)-9H-xanthene-9-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylpropyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 16765049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).