CID 73292792

C44H48N4O2 — CID 73292792

IUPAC—
SMILESCC1(c2ccc(O)cc2)c2ccc([nH]2)C2(CCCCC2)c2ccc([nH]2)C(C)(c2ccc(O)cc2)c2ccc([nH]2)C2(CCCCC2)c2ccc1[nH]2
InChIInChI=1S/C44H48N4O2/c1-41(29-9-13-31(49)14-10-29)33-17-21-37(45-33)43(25-5-3-6-26-43)39-23-19-35(47-39)42(2,30-11-15-32(50)16-12-30)36-20-24-40(48-36)44(27-7-4-8-28-44)38-22-18-34(41)46-38/h9-24,45-50H,3-8,25-28H2,1-2H3
InChIKeyHPPDMUFPRUBIKY-UHFFFAOYSA-N
MW664.89 g/mol
LogP9.93
Rot. Bonds2

About CID 73292792

CID 73292792 (PubChem CID 73292792) has the molecular formula C44H48N4O2 and a molecular weight of 664.89 g/mol.

Molecular Properties

Compound NameCID 73292792
PubChem CID73292792
Molecular FormulaC44H48N4O2
Molecular Weight664.89 g/mol
Exact Mass664.38
IUPAC Name—
SMILESCC1(c2ccc(O)cc2)c2ccc([nH]2)C2(CCCCC2)c2ccc([nH]2)C(C)(c2ccc(O)cc2)c2ccc([nH]2)C2(CCCCC2)c2ccc1[nH]2
InChIInChI=1S/C44H48N4O2/c1-41(29-9-13-31(49)14-10-29)33-17-21-37(45-33)43(25-5-3-6-26-43)39-23-19-35(47-39)42(2,30-11-15-32(50)16-12-30)36-20-24-40(48-36)44(27-7-4-8-28-44)38-22-18-34(41)46-38/h9-24,45-50H,3-8,25-28H2,1-2H3
InChIKeyHPPDMUFPRUBIKY-UHFFFAOYSA-N
XLogP9.93
TPSA103.62 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500664.89
LogP ≤ 59.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 73292792?
The IUPAC name of CID 73292792 (CID 73292792) is not available.
What is the SMILES notation for CID 73292792?
The canonical SMILES for CID 73292792 is CC1(c2ccc(O)cc2)c2ccc([nH]2)C2(CCCCC2)c2ccc([nH]2)C(C)(c2ccc(O)cc2)c2ccc([nH]2)C2(CCCCC2)c2ccc1[nH]2.
What is the InChIKey of CID 73292792?
The InChIKey is HPPDMUFPRUBIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48N4O2/c1-41(29-9-13-31(49)14-10-29)33-17-21-37(45-33)43(25-5-3-6-26-43)39-23-19-35(47-39)42(2,30-11-15-32(50)16-12-30)36-20-24-40(48-36)44(27-7-4-8-28-44)38-22-18-34(41)46-38/h9-24,45-50H,3-8,25-28H2,1-2H3.
What are the key properties of CID 73292792?
CID 73292792 has a molecular weight of 664.89 g/mol, XLogP of 9.93, 2 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 73292792 is sourced from PubChem (CID 73292792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).