2-[9-[3-[1-[1-(2,6-dimethylphenyl)triazol-4-yl]pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine

C38H29N5O — CID 139363748

IUPAC2-[9-[3-[1-[1-(2,6-dimethylphenyl)triazol-4-yl]pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine
SMILESCc1cccc(C)c1-n1cc(-n2ccc(Oc3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)c2)nn1
InChIInChI=1S/C38H29N5O/c1-26-11-9-12-27(2)37(26)43-25-36(40-41-43)42-22-20-30(24-42)44-29-14-10-13-28(23-29)38(35-19-7-8-21-39-35)33-17-5-3-15-31(33)32-16-4-6-18-34(32)38/h3-25H,1-2H3
InChIKeyOWXFSMQUTWEOAN-UHFFFAOYSA-N
MW571.68 g/mol
LogP8.23
Rot. Bonds6

About 2-[9-[3-[1-[1-(2,6-dimethylphenyl)triazol-4-yl]pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine

2-[9-[3-[1-[1-(2,6-dimethylphenyl)triazol-4-yl]pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine (PubChem CID 139363748) has the molecular formula C38H29N5O and a molecular weight of 571.68 g/mol. Its IUPAC name is 2-[9-[3-[1-[1-(2,6-dimethylphenyl)triazol-4-yl]pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine.

Molecular Properties

Compound Name2-[9-[3-[1-[1-(2,6-dimethylphenyl)triazol-4-yl]pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine
PubChem CID139363748
Molecular FormulaC38H29N5O
Molecular Weight571.68 g/mol
Exact Mass571.24
IUPAC Name2-[9-[3-[1-[1-(2,6-dimethylphenyl)triazol-4-yl]pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine
SMILESCc1cccc(C)c1-n1cc(-n2ccc(Oc3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)c2)nn1
InChIInChI=1S/C38H29N5O/c1-26-11-9-12-27(2)37(26)43-25-36(40-41-43)42-22-20-30(24-42)44-29-14-10-13-28(23-29)38(35-19-7-8-21-39-35)33-17-5-3-15-31(33)32-16-4-6-18-34(32)38/h3-25H,1-2H3
InChIKeyOWXFSMQUTWEOAN-UHFFFAOYSA-N
XLogP8.23
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.68
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[9-[3-[1-[1-(2,6-dimethylphenyl)triazol-4-yl]pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-[1-[1-(2,6-dimethylphenyl)triazol-4-yl]pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine?
The IUPAC name of 2-[9-[3-[1-[1-(2,6-dimethylphenyl)triazol-4-yl]pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine (CID 139363748) is 2-[9-[3-[1-[1-(2,6-dimethylphenyl)triazol-4-yl]pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine.
What is the SMILES notation for 2-[9-[3-[1-[1-(2,6-dimethylphenyl)triazol-4-yl]pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine?
The canonical SMILES for 2-[9-[3-[1-[1-(2,6-dimethylphenyl)triazol-4-yl]pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine is Cc1cccc(C)c1-n1cc(-n2ccc(Oc3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)c2)nn1.
What is the InChIKey of 2-[9-[3-[1-[1-(2,6-dimethylphenyl)triazol-4-yl]pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine?
The InChIKey is OWXFSMQUTWEOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N5O/c1-26-11-9-12-27(2)37(26)43-25-36(40-41-43)42-22-20-30(24-42)44-29-14-10-13-28(23-29)38(35-19-7-8-21-39-35)33-17-5-3-15-31(33)32-16-4-6-18-34(32)38/h3-25H,1-2H3.
What are the key properties of 2-[9-[3-[1-[1-(2,6-dimethylphenyl)triazol-4-yl]pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine?
2-[9-[3-[1-[1-(2,6-dimethylphenyl)triazol-4-yl]pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine has a molecular weight of 571.68 g/mol, XLogP of 8.23, 6 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-(2,6-dimethylphenyl)triazol-4-yl]pyrrol-3-yl]oxyphenyl]fluoren-9-yl]pyridine is sourced from PubChem (CID 139363748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).