2-[4-[(4-heptylcyclohexyl)-[(4-heptylcyclohexyl)-[4-(5-nonylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-nonylpyrazine;2-nonyl-5-[4-[[[4-(5-nonylpyrazin-2-yl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyrazine

C128H196N8O2 — CID 88656416

IUPAC2-[4-[(4-heptylcyclohexyl)-[(4-heptylcyclohexyl)-[4-(5-nonylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-nonylpyrazine;2-nonyl-5-[4-[[[4-(5-nonylpyrazin-2-yl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyrazine
SMILESCCCCCCCCCc1cnc(-c2ccc(C(OC(c3ccc(-c4cnc(CCCCCCCCC)cn4)cc3)C3CCC(CCCCC)CC3)C3CCC(CCCCC)CC3)cc2)cn1.CCCCCCCCCc1cnc(-c2ccc(C(OC(c3ccc(-c4cnc(CCCCCCCCC)cn4)cc3)C3CCC(CCCCCCC)CC3)C3CCC(CCCCCCC)CC3)cc2)cn1
InChIInChI=1S/C66H102N4O.C62H94N4O/c1-5-9-13-17-19-23-27-31-61-49-69-63(51-67-61)55-41-45-59(46-42-55)65(57-37-33-53(34-38-57)29-25-21-15-11-7-3)71-66(58-39-35-54(36-40-58)30-26-22-16-12-8-4)60-47-43-56(44-48-60)64-52-68-62(50-70-64)32-28-24-20-18-14-10-6-2;1-5-9-13-15-17-19-23-27-57-45-65-59(47-63-57)51-37-41-55(42-38-51)61(53-33-29-49(30-34-53)25-21-11-7-3)67-62(54-35-31-50(32-36-54)26-22-12-8-4)56-43-39-52(40-44-56)60-48-64-58(46-66-60)28-24-20-18-16-14-10-6-2/h41-54,57-58,65-66H,5-40H2,1-4H3;37-50,53-54,61-62H,5-36H2,1-4H3
InChIKeyMJCMLCNHUGWSOU-UHFFFAOYSA-N
MW1879.03 g/mol
LogP39.08
Rot. Bonds68

About 2-[4-[(4-heptylcyclohexyl)-[(4-heptylcyclohexyl)-[4-(5-nonylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-nonylpyrazine;2-nonyl-5-[4-[[[4-(5-nonylpyrazin-2-yl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyrazine

2-[4-[(4-heptylcyclohexyl)-[(4-heptylcyclohexyl)-[4-(5-nonylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-nonylpyrazine;2-nonyl-5-[4-[[[4-(5-nonylpyrazin-2-yl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyrazine (PubChem CID 88656416) has the molecular formula C128H196N8O2 and a molecular weight of 1879.03 g/mol. Its IUPAC name is 2-[4-[(4-heptylcyclohexyl)-[(4-heptylcyclohexyl)-[4-(5-nonylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-nonylpyrazine;2-nonyl-5-[4-[[[4-(5-nonylpyrazin-2-yl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyrazine.

Molecular Properties

Compound Name2-[4-[(4-heptylcyclohexyl)-[(4-heptylcyclohexyl)-[4-(5-nonylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-nonylpyrazine;2-nonyl-5-[4-[[[4-(5-nonylpyrazin-2-yl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyrazine
PubChem CID88656416
Molecular FormulaC128H196N8O2
Molecular Weight1879.03 g/mol
Exact Mass1877.55
IUPAC Name2-[4-[(4-heptylcyclohexyl)-[(4-heptylcyclohexyl)-[4-(5-nonylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-nonylpyrazine;2-nonyl-5-[4-[[[4-(5-nonylpyrazin-2-yl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyrazine
SMILESCCCCCCCCCc1cnc(-c2ccc(C(OC(c3ccc(-c4cnc(CCCCCCCCC)cn4)cc3)C3CCC(CCCCC)CC3)C3CCC(CCCCC)CC3)cc2)cn1.CCCCCCCCCc1cnc(-c2ccc(C(OC(c3ccc(-c4cnc(CCCCCCCCC)cn4)cc3)C3CCC(CCCCCCC)CC3)C3CCC(CCCCCCC)CC3)cc2)cn1
InChIInChI=1S/C66H102N4O.C62H94N4O/c1-5-9-13-17-19-23-27-31-61-49-69-63(51-67-61)55-41-45-59(46-42-55)65(57-37-33-53(34-38-57)29-25-21-15-11-7-3)71-66(58-39-35-54(36-40-58)30-26-22-16-12-8-4)60-47-43-56(44-48-60)64-52-68-62(50-70-64)32-28-24-20-18-14-10-6-2;1-5-9-13-15-17-19-23-27-57-45-65-59(47-63-57)51-37-41-55(42-38-51)61(53-33-29-49(30-34-53)25-21-11-7-3)67-62(54-35-31-50(32-36-54)26-22-12-8-4)56-43-39-52(40-44-56)60-48-64-58(46-66-60)28-24-20-18-16-14-10-6-2/h41-54,57-58,65-66H,5-40H2,1-4H3;37-50,53-54,61-62H,5-36H2,1-4H3
InChIKeyMJCMLCNHUGWSOU-UHFFFAOYSA-N
XLogP39.08
TPSA121.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds68
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001879.03
LogP ≤ 539.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[(4-heptylcyclohexyl)-[(4-heptylcyclohexyl)-[4-(5-nonylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-nonylpyrazine;2-nonyl-5-[4-[[[4-(5-nonylpyrazin-2-yl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyrazine 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-[4-[(4-heptylcyclohexyl)-[(4-heptylcyclohexyl)-[4-(5-nonylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-nonylpyrazine;2-nonyl-5-[4-[[[4-(5-nonylpyrazin-2-yl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyrazine?
The IUPAC name of 2-[4-[(4-heptylcyclohexyl)-[(4-heptylcyclohexyl)-[4-(5-nonylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-nonylpyrazine;2-nonyl-5-[4-[[[4-(5-nonylpyrazin-2-yl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyrazine (CID 88656416) is 2-[4-[(4-heptylcyclohexyl)-[(4-heptylcyclohexyl)-[4-(5-nonylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-nonylpyrazine;2-nonyl-5-[4-[[[4-(5-nonylpyrazin-2-yl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyrazine.
What is the SMILES notation for 2-[4-[(4-heptylcyclohexyl)-[(4-heptylcyclohexyl)-[4-(5-nonylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-nonylpyrazine;2-nonyl-5-[4-[[[4-(5-nonylpyrazin-2-yl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyrazine?
The canonical SMILES for 2-[4-[(4-heptylcyclohexyl)-[(4-heptylcyclohexyl)-[4-(5-nonylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-nonylpyrazine;2-nonyl-5-[4-[[[4-(5-nonylpyrazin-2-yl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyrazine is CCCCCCCCCc1cnc(-c2ccc(C(OC(c3ccc(-c4cnc(CCCCCCCCC)cn4)cc3)C3CCC(CCCCC)CC3)C3CCC(CCCCC)CC3)cc2)cn1.CCCCCCCCCc1cnc(-c2ccc(C(OC(c3ccc(-c4cnc(CCCCCCCCC)cn4)cc3)C3CCC(CCCCCCC)CC3)C3CCC(CCCCCCC)CC3)cc2)cn1.
What is the InChIKey of 2-[4-[(4-heptylcyclohexyl)-[(4-heptylcyclohexyl)-[4-(5-nonylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-nonylpyrazine;2-nonyl-5-[4-[[[4-(5-nonylpyrazin-2-yl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyrazine?
The InChIKey is MJCMLCNHUGWSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H102N4O.C62H94N4O/c1-5-9-13-17-19-23-27-31-61-49-69-63(51-67-61)55-41-45-59(46-42-55)65(57-37-33-53(34-38-57)29-25-21-15-11-7-3)71-66(58-39-35-54(36-40-58)30-26-22-16-12-8-4)60-47-43-56(44-48-60)64-52-68-62(50-70-64)32-28-24-20-18-14-10-6-2;1-5-9-13-15-17-19-23-27-57-45-65-59(47-63-57)51-37-41-55(42-38-51)61(53-33-29-49(30-34-53)25-21-11-7-3)67-62(54-35-31-50(32-36-54)26-22-12-8-4)56-43-39-52(40-44-56)60-48-64-58(46-66-60)28-24-20-18-16-14-10-6-2/h41-54,57-58,65-66H,5-40H2,1-4H3;37-50,53-54,61-62H,5-36H2,1-4H3.
What are the key properties of 2-[4-[(4-heptylcyclohexyl)-[(4-heptylcyclohexyl)-[4-(5-nonylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-nonylpyrazine;2-nonyl-5-[4-[[[4-(5-nonylpyrazin-2-yl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyrazine?
2-[4-[(4-heptylcyclohexyl)-[(4-heptylcyclohexyl)-[4-(5-nonylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-nonylpyrazine;2-nonyl-5-[4-[[[4-(5-nonylpyrazin-2-yl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyrazine has a molecular weight of 1879.03 g/mol, XLogP of 39.08, 68 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-heptylcyclohexyl)-[(4-heptylcyclohexyl)-[4-(5-nonylpyrazin-2-yl)phenyl]methoxy]methyl]phenyl]-5-nonylpyrazine;2-nonyl-5-[4-[[[4-(5-nonylpyrazin-2-yl)phenyl]-(4-pentylcyclohexyl)methoxy]-(4-pentylcyclohexyl)methyl]phenyl]pyrazine is sourced from PubChem (CID 88656416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).