CID 13353392

C27H36GeN2P — CID 13353392

IUPAC—
SMILES[H]P=C(N(CC)CC)N(CC)CC.c1ccc([Ge](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15Ge.C9H21N2P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-10(6-2)9(12)11(7-3)8-4/h1-15H;12H,5-8H2,1-4H3
InChIKeyZOTNGHMFAZMHDX-UHFFFAOYSA-N
MW492.18 g/mol
LogP4.10
Rot. Bonds9

About CID 13353392

CID 13353392 (PubChem CID 13353392) has the molecular formula C27H36GeN2P and a molecular weight of 492.18 g/mol.

Molecular Properties

Compound NameCID 13353392
PubChem CID13353392
Molecular FormulaC27H36GeN2P
Molecular Weight492.18 g/mol
Exact Mass493.18
IUPAC Name—
SMILES[H]P=C(N(CC)CC)N(CC)CC.c1ccc([Ge](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15Ge.C9H21N2P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-10(6-2)9(12)11(7-3)8-4/h1-15H;12H,5-8H2,1-4H3
InChIKeyZOTNGHMFAZMHDX-UHFFFAOYSA-N
XLogP4.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.18
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 13353392?
The IUPAC name of CID 13353392 (CID 13353392) is not available.
What is the SMILES notation for CID 13353392?
The canonical SMILES for CID 13353392 is [H]P=C(N(CC)CC)N(CC)CC.c1ccc([Ge](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 13353392?
The InChIKey is ZOTNGHMFAZMHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Ge.C9H21N2P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-10(6-2)9(12)11(7-3)8-4/h1-15H;12H,5-8H2,1-4H3.
What are the key properties of CID 13353392?
CID 13353392 has a molecular weight of 492.18 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13353392 is sourced from PubChem (CID 13353392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).