11-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-[1]benzofuro[3,2-b]carbazole

C35H21N3O — CID 129040205

IUPAC11-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-[1]benzofuro[3,2-b]carbazole
SMILESc1cc(-c2cc3ccc4ccccc4n3n2)cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1
InChIInChI=1S/C35H21N3O/c1-4-13-31-22(8-1)16-17-25-19-30(36-38(25)31)23-9-7-10-24(18-23)37-32-14-5-2-11-26(32)28-21-35-29(20-33(28)37)27-12-3-6-15-34(27)39-35/h1-21H
InChIKeyCRVPIVJRPRXAMX-UHFFFAOYSA-N
MW499.57 g/mol
LogP9.15
Rot. Bonds2

About 11-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-[1]benzofuro[3,2-b]carbazole

11-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-[1]benzofuro[3,2-b]carbazole (PubChem CID 129040205) has the molecular formula C35H21N3O and a molecular weight of 499.57 g/mol. Its IUPAC name is 11-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-[1]benzofuro[3,2-b]carbazole
PubChem CID129040205
Molecular FormulaC35H21N3O
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC Name11-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-[1]benzofuro[3,2-b]carbazole
SMILESc1cc(-c2cc3ccc4ccccc4n3n2)cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1
InChIInChI=1S/C35H21N3O/c1-4-13-31-22(8-1)16-17-25-19-30(36-38(25)31)23-9-7-10-24(18-23)37-32-14-5-2-11-26(32)28-21-35-29(20-33(28)37)27-12-3-6-15-34(27)39-35/h1-21H
InChIKeyCRVPIVJRPRXAMX-UHFFFAOYSA-N
XLogP9.15
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-[1]benzofuro[3,2-b]carbazole (CID 129040205) is 11-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-[1]benzofuro[3,2-b]carbazole is c1cc(-c2cc3ccc4ccccc4n3n2)cc(-n2c3ccccc3c3cc4oc5ccccc5c4cc32)c1.
What is the InChIKey of 11-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-[1]benzofuro[3,2-b]carbazole?
The InChIKey is CRVPIVJRPRXAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3O/c1-4-13-31-22(8-1)16-17-25-19-30(36-38(25)31)23-9-7-10-24(18-23)37-32-14-5-2-11-26(32)28-21-35-29(20-33(28)37)27-12-3-6-15-34(27)39-35/h1-21H.
What are the key properties of 11-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-[1]benzofuro[3,2-b]carbazole?
11-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-[1]benzofuro[3,2-b]carbazole has a molecular weight of 499.57 g/mol, XLogP of 9.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 129040205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).