CID 10122258

C44H60N4 — CID 10122258

IUPAC—
SMILESc1cc2[nH]c1C1(CCCCCC1)c1ccc([nH]1)C1(CCCCCC1)c1ccc([nH]1)C1(CCCCCC1)c1ccc([nH]1)C21CCCCCC1
InChIInChI=1S/C44H60N4/c1-2-10-26-41(25-9-1)33-17-19-35(45-33)42(27-11-3-4-12-28-42)37-21-23-39(47-37)44(31-15-7-8-16-32-44)40-24-22-38(48-40)43(29-13-5-6-14-30-43)36-20-18-34(41)46-36/h17-24,45-48H,1-16,25-32H2
InChIKeyRUXJOPRBZWIGLX-UHFFFAOYSA-N
MW644.99 g/mol
LogP11.87
Rot. Bonds

About CID 10122258

CID 10122258 (PubChem CID 10122258) has the molecular formula C44H60N4 and a molecular weight of 644.99 g/mol.

Molecular Properties

Compound NameCID 10122258
PubChem CID10122258
Molecular FormulaC44H60N4
Molecular Weight644.99 g/mol
Exact Mass644.48
IUPAC Name—
SMILESc1cc2[nH]c1C1(CCCCCC1)c1ccc([nH]1)C1(CCCCCC1)c1ccc([nH]1)C1(CCCCCC1)c1ccc([nH]1)C21CCCCCC1
InChIInChI=1S/C44H60N4/c1-2-10-26-41(25-9-1)33-17-19-35(45-33)42(27-11-3-4-12-28-42)37-21-23-39(47-37)44(31-15-7-8-16-32-44)40-24-22-38(48-40)43(29-13-5-6-14-30-43)36-20-18-34(41)46-36/h17-24,45-48H,1-16,25-32H2
InChIKeyRUXJOPRBZWIGLX-UHFFFAOYSA-N
XLogP11.87
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.99
LogP ≤ 511.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 10122258?
The IUPAC name of CID 10122258 (CID 10122258) is not available.
What is the SMILES notation for CID 10122258?
The canonical SMILES for CID 10122258 is c1cc2[nH]c1C1(CCCCCC1)c1ccc([nH]1)C1(CCCCCC1)c1ccc([nH]1)C1(CCCCCC1)c1ccc([nH]1)C21CCCCCC1.
What is the InChIKey of CID 10122258?
The InChIKey is RUXJOPRBZWIGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H60N4/c1-2-10-26-41(25-9-1)33-17-19-35(45-33)42(27-11-3-4-12-28-42)37-21-23-39(47-37)44(31-15-7-8-16-32-44)40-24-22-38(48-40)43(29-13-5-6-14-30-43)36-20-18-34(41)46-36/h17-24,45-48H,1-16,25-32H2.
What are the key properties of CID 10122258?
CID 10122258 has a molecular weight of 644.99 g/mol, XLogP of 11.87, 0 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10122258 is sourced from PubChem (CID 10122258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).