3'-carbazol-9-ylspiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]

C34H21N3O — CID 155766140

IUPAC3'-carbazol-9-ylspiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]
SMILESc1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1C21c2ccccc2-c2ccnn21
InChIInChI=1S/C34H21N3O/c1-4-12-26-25(11-1)31-19-20-35-37(31)34(26)27-13-5-8-16-32(27)38-33-21-22(17-18-28(33)34)36-29-14-6-2-9-23(29)24-10-3-7-15-30(24)36/h1-21H
InChIKeyDTJVZLQCZKYGED-UHFFFAOYSA-N
MW487.56 g/mol
LogP7.91
Rot. Bonds1

About 3'-carbazol-9-ylspiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]

3'-carbazol-9-ylspiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene] (PubChem CID 155766140) has the molecular formula C34H21N3O and a molecular weight of 487.56 g/mol. Its IUPAC name is 3'-carbazol-9-ylspiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene].

Molecular Properties

Compound Name3'-carbazol-9-ylspiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]
PubChem CID155766140
Molecular FormulaC34H21N3O
Molecular Weight487.56 g/mol
Exact Mass487.17
IUPAC Name3'-carbazol-9-ylspiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]
SMILESc1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1C21c2ccccc2-c2ccnn21
InChIInChI=1S/C34H21N3O/c1-4-12-26-25(11-1)31-19-20-35-37(31)34(26)27-13-5-8-16-32(27)38-33-21-22(17-18-28(33)34)36-29-14-6-2-9-23(29)24-10-3-7-15-30(24)36/h1-21H
InChIKeyDTJVZLQCZKYGED-UHFFFAOYSA-N
XLogP7.91
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3'-carbazol-9-ylspiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]?
The IUPAC name of 3'-carbazol-9-ylspiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene] (CID 155766140) is 3'-carbazol-9-ylspiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene].
What is the SMILES notation for 3'-carbazol-9-ylspiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]?
The canonical SMILES for 3'-carbazol-9-ylspiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene] is c1ccc2c(c1)Oc1cc(-n3c4ccccc4c4ccccc43)ccc1C21c2ccccc2-c2ccnn21.
What is the InChIKey of 3'-carbazol-9-ylspiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]?
The InChIKey is DTJVZLQCZKYGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3O/c1-4-12-26-25(11-1)31-19-20-35-37(31)34(26)27-13-5-8-16-32(27)38-33-21-22(17-18-28(33)34)36-29-14-6-2-9-23(29)24-10-3-7-15-30(24)36/h1-21H.
What are the key properties of 3'-carbazol-9-ylspiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene]?
3'-carbazol-9-ylspiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene] has a molecular weight of 487.56 g/mol, XLogP of 7.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-carbazol-9-ylspiro[pyrazolo[5,1-a]isoindole-5,9'-xanthene] is sourced from PubChem (CID 155766140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).