2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-a]quinoline

C47H30N4 — CID 129040292

IUPAC2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-a]quinoline
SMILESc1ccc(-c2nn3c(ccc4ccccc43)c2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C47H30N4/c1-3-14-32(15-4-1)46-47(45-28-23-31-13-7-10-20-40(31)51(45)48-46)50-42-22-12-9-19-37(42)39-30-34(25-27-44(39)50)33-24-26-43-38(29-33)36-18-8-11-21-41(36)49(43)35-16-5-2-6-17-35/h1-30H
InChIKeyHEUXSGHDSSKDFI-UHFFFAOYSA-N
MW650.79 g/mol
LogP12.02
Rot. Bonds4

About 2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-a]quinoline

2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-a]quinoline (PubChem CID 129040292) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-a]quinoline
PubChem CID129040292
Molecular FormulaC47H30N4
Molecular Weight650.79 g/mol
Exact Mass650.25
IUPAC Name2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-a]quinoline
SMILESc1ccc(-c2nn3c(ccc4ccccc43)c2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C47H30N4/c1-3-14-32(15-4-1)46-47(45-28-23-31-13-7-10-20-40(31)51(45)48-46)50-42-22-12-9-19-37(42)39-30-34(25-27-44(39)50)33-24-26-43-38(29-33)36-18-8-11-21-41(36)49(43)35-16-5-2-6-17-35/h1-30H
InChIKeyHEUXSGHDSSKDFI-UHFFFAOYSA-N
XLogP12.02
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.79
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-a]quinoline?
The IUPAC name of 2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-a]quinoline (CID 129040292) is 2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-a]quinoline.
What is the SMILES notation for 2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-a]quinoline?
The canonical SMILES for 2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-a]quinoline is c1ccc(-c2nn3c(ccc4ccccc43)c2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-a]quinoline?
The InChIKey is HEUXSGHDSSKDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c1-3-14-32(15-4-1)46-47(45-28-23-31-13-7-10-20-40(31)51(45)48-46)50-42-22-12-9-19-37(42)39-30-34(25-27-44(39)50)33-24-26-43-38(29-33)36-18-8-11-21-41(36)49(43)35-16-5-2-6-17-35/h1-30H.
What are the key properties of 2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-a]quinoline?
2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-a]quinoline has a molecular weight of 650.79 g/mol, XLogP of 12.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrazolo[1,5-a]quinoline is sourced from PubChem (CID 129040292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).