CID 134900115

C38H37NP2Ru — CID 134900115

IUPAC—
SMILESC[C@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)N(C)C.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[Ru]
InChIInChI=1S/C21H23NP.C17H14P.Ru/c1-17(22(2)3)20-15-10-16-21(20)23(18-11-6-4-7-12-18)19-13-8-5-9-14-19;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h4-17H,1-3H3;1-14H;/t17-;;/m1../s1
InChIKeyRGTGXXZNUYUVIO-ZEECNFPPSA-N
MW670.74 g/mol
LogP7.28
Rot. Bonds8

About CID 134900115

CID 134900115 (PubChem CID 134900115) has the molecular formula C38H37NP2Ru and a molecular weight of 670.74 g/mol.

Molecular Properties

Compound NameCID 134900115
PubChem CID134900115
Molecular FormulaC38H37NP2Ru
Molecular Weight670.74 g/mol
Exact Mass671.14
IUPAC Name—
SMILESC[C@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)N(C)C.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[Ru]
InChIInChI=1S/C21H23NP.C17H14P.Ru/c1-17(22(2)3)20-15-10-16-21(20)23(18-11-6-4-7-12-18)19-13-8-5-9-14-19;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h4-17H,1-3H3;1-14H;/t17-;;/m1../s1
InChIKeyRGTGXXZNUYUVIO-ZEECNFPPSA-N
XLogP7.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.74
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134900115?
The IUPAC name of CID 134900115 (CID 134900115) is not available.
What is the SMILES notation for CID 134900115?
The canonical SMILES for CID 134900115 is C[C@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)N(C)C.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[Ru].
What is the InChIKey of CID 134900115?
The InChIKey is RGTGXXZNUYUVIO-ZEECNFPPSA-N. The full InChI is InChI=1S/C21H23NP.C17H14P.Ru/c1-17(22(2)3)20-15-10-16-21(20)23(18-11-6-4-7-12-18)19-13-8-5-9-14-19;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h4-17H,1-3H3;1-14H;/t17-;;/m1../s1.
What are the key properties of CID 134900115?
CID 134900115 has a molecular weight of 670.74 g/mol, XLogP of 7.28, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134900115 is sourced from PubChem (CID 134900115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).