CID 160950369

C25H39ClGeN3P — CID 160950369

IUPAC—
SMILESCc1cccc(C(C)C)c1N([Ge]Cl)C1=C(P2N(C(C)C)CCN2C(C)C)C2CCC1C2
InChIInChI=1S/C25H39ClGeN3P/c1-16(2)22-10-8-9-19(7)23(22)30(27-26)24-20-11-12-21(15-20)25(24)31-28(17(3)4)13-14-29(31)18(5)6/h8-10,16-18,20-21H,11-15H2,1-7H3
InChIKeyPTEMUUVNUCPUJM-UHFFFAOYSA-N
MW520.65 g/mol
LogP7.09
Rot. Bonds7

About CID 160950369

CID 160950369 (PubChem CID 160950369) has the molecular formula C25H39ClGeN3P and a molecular weight of 520.65 g/mol.

Molecular Properties

Compound NameCID 160950369
PubChem CID160950369
Molecular FormulaC25H39ClGeN3P
Molecular Weight520.65 g/mol
Exact Mass521.18
IUPAC Name—
SMILESCc1cccc(C(C)C)c1N([Ge]Cl)C1=C(P2N(C(C)C)CCN2C(C)C)C2CCC1C2
InChIInChI=1S/C25H39ClGeN3P/c1-16(2)22-10-8-9-19(7)23(22)30(27-26)24-20-11-12-21(15-20)25(24)31-28(17(3)4)13-14-29(31)18(5)6/h8-10,16-18,20-21H,11-15H2,1-7H3
InChIKeyPTEMUUVNUCPUJM-UHFFFAOYSA-N
XLogP7.09
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.65
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(3R,6S,9R)-8-[2,6-di(propan-2-yl)phenyl]-9,14,15-triphenyl-10,13-di(propan-2-yl)-8,10,13-triaza-1-phospha-9-silatetracyclo[7.4.2.13,6.02,7]hexadeca-2(7),14-diene
CID 139114707
N-(2-methyl-6-propan-2-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
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N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
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4-[2,6-di(propan-2-yl)phenyl]cyclohexan-1-amine
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CID 117013204
3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
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1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one
CID 81374524
N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28652659
4,5-dichloro-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazole;4,5-dichloro-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole
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Frequently Asked Questions

What is the IUPAC name of CID 160950369?
The IUPAC name of CID 160950369 (CID 160950369) is not available.
What is the SMILES notation for CID 160950369?
The canonical SMILES for CID 160950369 is Cc1cccc(C(C)C)c1N([Ge]Cl)C1=C(P2N(C(C)C)CCN2C(C)C)C2CCC1C2.
What is the InChIKey of CID 160950369?
The InChIKey is PTEMUUVNUCPUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39ClGeN3P/c1-16(2)22-10-8-9-19(7)23(22)30(27-26)24-20-11-12-21(15-20)25(24)31-28(17(3)4)13-14-29(31)18(5)6/h8-10,16-18,20-21H,11-15H2,1-7H3.
What are the key properties of CID 160950369?
CID 160950369 has a molecular weight of 520.65 g/mol, XLogP of 7.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160950369 is sourced from PubChem (CID 160950369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).