2-[9-[3-[1-(1,2,4-triazol-1-yl)pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine

C30H21N5O — CID 147958353

IUPAC2-[9-[3-[1-(1,2,4-triazol-1-yl)pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine
SMILESc1ccc(C2(c3cccc(Oc4ccn(-n5cncn5)c4)c3)c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C30H21N5O/c1-3-12-27-25(10-1)26-11-2-4-13-28(26)30(27,29-14-5-6-16-32-29)22-8-7-9-23(18-22)36-24-15-17-34(19-24)35-21-31-20-33-35/h1-21H
InChIKeyIOZHXQYJLXGJJL-UHFFFAOYSA-N
MW467.53 g/mol
LogP5.94
Rot. Bonds5

About 2-[9-[3-[1-(1,2,4-triazol-1-yl)pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine

2-[9-[3-[1-(1,2,4-triazol-1-yl)pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine (PubChem CID 147958353) has the molecular formula C30H21N5O and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-[9-[3-[1-(1,2,4-triazol-1-yl)pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine.

Molecular Properties

Compound Name2-[9-[3-[1-(1,2,4-triazol-1-yl)pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine
PubChem CID147958353
Molecular FormulaC30H21N5O
Molecular Weight467.53 g/mol
Exact Mass467.17
IUPAC Name2-[9-[3-[1-(1,2,4-triazol-1-yl)pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine
SMILESc1ccc(C2(c3cccc(Oc4ccn(-n5cncn5)c4)c3)c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C30H21N5O/c1-3-12-27-25(10-1)26-11-2-4-13-28(26)30(27,29-14-5-6-16-32-29)22-8-7-9-23(18-22)36-24-15-17-34(19-24)35-21-31-20-33-35/h1-21H
InChIKeyIOZHXQYJLXGJJL-UHFFFAOYSA-N
XLogP5.94
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-[1-(1,2,4-triazol-1-yl)pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine?
The IUPAC name of 2-[9-[3-[1-(1,2,4-triazol-1-yl)pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine (CID 147958353) is 2-[9-[3-[1-(1,2,4-triazol-1-yl)pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine.
What is the SMILES notation for 2-[9-[3-[1-(1,2,4-triazol-1-yl)pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine?
The canonical SMILES for 2-[9-[3-[1-(1,2,4-triazol-1-yl)pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine is c1ccc(C2(c3cccc(Oc4ccn(-n5cncn5)c4)c3)c3ccccc3-c3ccccc32)nc1.
What is the InChIKey of 2-[9-[3-[1-(1,2,4-triazol-1-yl)pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine?
The InChIKey is IOZHXQYJLXGJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N5O/c1-3-12-27-25(10-1)26-11-2-4-13-28(26)30(27,29-14-5-6-16-32-29)22-8-7-9-23(18-22)36-24-15-17-34(19-24)35-21-31-20-33-35/h1-21H.
What are the key properties of 2-[9-[3-[1-(1,2,4-triazol-1-yl)pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine?
2-[9-[3-[1-(1,2,4-triazol-1-yl)pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine has a molecular weight of 467.53 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-[1-(1,2,4-triazol-1-yl)pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine is sourced from PubChem (CID 147958353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).