CID 132941200

C35H46AgN2O2 — CID 132941200

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1N1[CH]N(c2c(C(C)C)cccc2C(C)C)CC1.Cc1ccc(C(=O)[O-])cc1.[Ag+]
InChIInChI=1S/C27H39N2.C8H8O2.Ag/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-6-2-4-7(5-3-6)8(9)10;/h9-14,17-21H,15-16H2,1-8H3;2-5H,1H3,(H,9,10);/q;;+1/p-1
InChIKeyORJMTPAQTGPART-UHFFFAOYSA-M
MW634.63 g/mol
LogP7.98
Rot. Bonds7

About CID 132941200

CID 132941200 (PubChem CID 132941200) has the molecular formula C35H46AgN2O2 and a molecular weight of 634.63 g/mol.

Molecular Properties

Compound NameCID 132941200
PubChem CID132941200
Molecular FormulaC35H46AgN2O2
Molecular Weight634.63 g/mol
Exact Mass633.26
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1N1[CH]N(c2c(C(C)C)cccc2C(C)C)CC1.Cc1ccc(C(=O)[O-])cc1.[Ag+]
InChIInChI=1S/C27H39N2.C8H8O2.Ag/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-6-2-4-7(5-3-6)8(9)10;/h9-14,17-21H,15-16H2,1-8H3;2-5H,1H3,(H,9,10);/q;;+1/p-1
InChIKeyORJMTPAQTGPART-UHFFFAOYSA-M
XLogP7.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.63
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 132941200?
The IUPAC name of CID 132941200 (CID 132941200) is not available.
What is the SMILES notation for CID 132941200?
The canonical SMILES for CID 132941200 is CC(C)c1cccc(C(C)C)c1N1[CH]N(c2c(C(C)C)cccc2C(C)C)CC1.Cc1ccc(C(=O)[O-])cc1.[Ag+].
What is the InChIKey of CID 132941200?
The InChIKey is ORJMTPAQTGPART-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H39N2.C8H8O2.Ag/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-6-2-4-7(5-3-6)8(9)10;/h9-14,17-21H,15-16H2,1-8H3;2-5H,1H3,(H,9,10);/q;;+1/p-1.
What are the key properties of CID 132941200?
CID 132941200 has a molecular weight of 634.63 g/mol, XLogP of 7.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132941200 is sourced from PubChem (CID 132941200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).