5-[2-[3,5-bis[2-[6-(3-methyl-1H-pyrazol-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-methyl-1H-pyrazol-5-yl)pyridine

C51H39N9 — CID 137285195

IUPAC5-[2-[3,5-bis[2-[6-(3-methyl-1H-pyrazol-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-methyl-1H-pyrazol-5-yl)pyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C)n[nH]5)nc4)cc(-c4ccccc4-c4ccc(-c5cc(C)n[nH]5)nc4)c3)cn2)[nH]n1
InChIInChI=1S/C51H39N9/c1-31-22-49(58-55-31)46-19-16-34(28-52-46)40-10-4-7-13-43(40)37-25-38(44-14-8-5-11-41(44)35-17-20-47(53-29-35)50-23-32(2)56-59-50)27-39(26-37)45-15-9-6-12-42(45)36-18-21-48(54-30-36)51-24-33(3)57-60-51/h4-30H,1-3H3,(H,55,58)(H,56,59)(H,57,60)
InChIKeyCJIZQVCETXQEFI-UHFFFAOYSA-N
MW777.94 g/mol
LogP11.97
Rot. Bonds9

About 5-[2-[3,5-bis[2-[6-(3-methyl-1H-pyrazol-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-methyl-1H-pyrazol-5-yl)pyridine

5-[2-[3,5-bis[2-[6-(3-methyl-1H-pyrazol-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-methyl-1H-pyrazol-5-yl)pyridine (PubChem CID 137285195) has the molecular formula C51H39N9 and a molecular weight of 777.94 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-[6-(3-methyl-1H-pyrazol-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-methyl-1H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-[6-(3-methyl-1H-pyrazol-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-methyl-1H-pyrazol-5-yl)pyridine
PubChem CID137285195
Molecular FormulaC51H39N9
Molecular Weight777.94 g/mol
Exact Mass777.33
IUPAC Name5-[2-[3,5-bis[2-[6-(3-methyl-1H-pyrazol-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-methyl-1H-pyrazol-5-yl)pyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C)n[nH]5)nc4)cc(-c4ccccc4-c4ccc(-c5cc(C)n[nH]5)nc4)c3)cn2)[nH]n1
InChIInChI=1S/C51H39N9/c1-31-22-49(58-55-31)46-19-16-34(28-52-46)40-10-4-7-13-43(40)37-25-38(44-14-8-5-11-41(44)35-17-20-47(53-29-35)50-23-32(2)56-59-50)27-39(26-37)45-15-9-6-12-42(45)36-18-21-48(54-30-36)51-24-33(3)57-60-51/h4-30H,1-3H3,(H,55,58)(H,56,59)(H,57,60)
InChIKeyCJIZQVCETXQEFI-UHFFFAOYSA-N
XLogP11.97
TPSA124.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.94
LogP ≤ 511.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[2-[3,5-bis[2-[6-(3-methyl-1H-pyrazol-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-methyl-1H-pyrazol-5-yl)pyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-[6-(3-methyl-1H-pyrazol-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-methyl-1H-pyrazol-5-yl)pyridine?
The IUPAC name of 5-[2-[3,5-bis[2-[6-(3-methyl-1H-pyrazol-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-methyl-1H-pyrazol-5-yl)pyridine (CID 137285195) is 5-[2-[3,5-bis[2-[6-(3-methyl-1H-pyrazol-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-methyl-1H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 5-[2-[3,5-bis[2-[6-(3-methyl-1H-pyrazol-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-methyl-1H-pyrazol-5-yl)pyridine?
The canonical SMILES for 5-[2-[3,5-bis[2-[6-(3-methyl-1H-pyrazol-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-methyl-1H-pyrazol-5-yl)pyridine is Cc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C)n[nH]5)nc4)cc(-c4ccccc4-c4ccc(-c5cc(C)n[nH]5)nc4)c3)cn2)[nH]n1.
What is the InChIKey of 5-[2-[3,5-bis[2-[6-(3-methyl-1H-pyrazol-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-methyl-1H-pyrazol-5-yl)pyridine?
The InChIKey is CJIZQVCETXQEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N9/c1-31-22-49(58-55-31)46-19-16-34(28-52-46)40-10-4-7-13-43(40)37-25-38(44-14-8-5-11-41(44)35-17-20-47(53-29-35)50-23-32(2)56-59-50)27-39(26-37)45-15-9-6-12-42(45)36-18-21-48(54-30-36)51-24-33(3)57-60-51/h4-30H,1-3H3,(H,55,58)(H,56,59)(H,57,60).
What are the key properties of 5-[2-[3,5-bis[2-[6-(3-methyl-1H-pyrazol-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-methyl-1H-pyrazol-5-yl)pyridine?
5-[2-[3,5-bis[2-[6-(3-methyl-1H-pyrazol-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-methyl-1H-pyrazol-5-yl)pyridine has a molecular weight of 777.94 g/mol, XLogP of 11.97, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-[6-(3-methyl-1H-pyrazol-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-methyl-1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 137285195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).