6-carbazol-9-ylpyrazolo[1,5-f]phenanthridine

C27H17N3 — CID 59358302

IUPAC6-carbazol-9-ylpyrazolo[1,5-f]phenanthridine
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n1nccc21
InChIInChI=1S/C27H17N3/c1-4-10-24-19(7-1)20-8-2-5-11-25(20)29(24)18-13-14-22-23(17-18)21-9-3-6-12-26(21)30-27(22)15-16-28-30/h1-17H
InChIKeyRFXVTDTXWOTCDP-UHFFFAOYSA-N
MW383.45 g/mol
LogP6.74
Rot. Bonds1

About 6-carbazol-9-ylpyrazolo[1,5-f]phenanthridine

6-carbazol-9-ylpyrazolo[1,5-f]phenanthridine (PubChem CID 59358302) has the molecular formula C27H17N3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-carbazol-9-ylpyrazolo[1,5-f]phenanthridine.

Molecular Properties

Compound Name6-carbazol-9-ylpyrazolo[1,5-f]phenanthridine
PubChem CID59358302
Molecular FormulaC27H17N3
Molecular Weight383.45 g/mol
Exact Mass383.14
IUPAC Name6-carbazol-9-ylpyrazolo[1,5-f]phenanthridine
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n1nccc21
InChIInChI=1S/C27H17N3/c1-4-10-24-19(7-1)20-8-2-5-11-25(20)29(24)18-13-14-22-23(17-18)21-9-3-6-12-26(21)30-27(22)15-16-28-30/h1-17H
InChIKeyRFXVTDTXWOTCDP-UHFFFAOYSA-N
XLogP6.74
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-ylpyrazolo[1,5-f]phenanthridine?
The IUPAC name of 6-carbazol-9-ylpyrazolo[1,5-f]phenanthridine (CID 59358302) is 6-carbazol-9-ylpyrazolo[1,5-f]phenanthridine.
What is the SMILES notation for 6-carbazol-9-ylpyrazolo[1,5-f]phenanthridine?
The canonical SMILES for 6-carbazol-9-ylpyrazolo[1,5-f]phenanthridine is c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n1nccc21.
What is the InChIKey of 6-carbazol-9-ylpyrazolo[1,5-f]phenanthridine?
The InChIKey is RFXVTDTXWOTCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3/c1-4-10-24-19(7-1)20-8-2-5-11-25(20)29(24)18-13-14-22-23(17-18)21-9-3-6-12-26(21)30-27(22)15-16-28-30/h1-17H.
What are the key properties of 6-carbazol-9-ylpyrazolo[1,5-f]phenanthridine?
6-carbazol-9-ylpyrazolo[1,5-f]phenanthridine has a molecular weight of 383.45 g/mol, XLogP of 6.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-ylpyrazolo[1,5-f]phenanthridine is sourced from PubChem (CID 59358302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).