CID 162408879

C51H71ClGe — CID 162408879

IUPAC—
SMILESCC(C)c1cc(C(C)C)c(-c2cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c([Ge]Cl)c(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2)c(C(C)C)c1
InChIInChI=1S/C51H71ClGe/c1-27(2)36-19-40(30(7)8)48(41(20-36)31(9)10)39-25-46(49-42(32(11)12)21-37(28(3)4)22-43(49)33(13)14)51(53-52)47(26-39)50-44(34(15)16)23-38(29(5)6)24-45(50)35(17)18/h19-35H,1-18H3
InChIKeyRKHIZHZXHSJMPX-UHFFFAOYSA-N
MW792.19 g/mol
LogP16.28
Rot. Bonds13

About CID 162408879

CID 162408879 (PubChem CID 162408879) has the molecular formula C51H71ClGe and a molecular weight of 792.19 g/mol.

Molecular Properties

Compound NameCID 162408879
PubChem CID162408879
Molecular FormulaC51H71ClGe
Molecular Weight792.19 g/mol
Exact Mass792.45
IUPAC Name—
SMILESCC(C)c1cc(C(C)C)c(-c2cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c([Ge]Cl)c(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2)c(C(C)C)c1
InChIInChI=1S/C51H71ClGe/c1-27(2)36-19-40(30(7)8)48(41(20-36)31(9)10)39-25-46(49-42(32(11)12)21-37(28(3)4)22-43(49)33(13)14)51(53-52)47(26-39)50-44(34(15)16)23-38(29(5)6)24-45(50)35(17)18/h19-35H,1-18H3
InChIKeyRKHIZHZXHSJMPX-UHFFFAOYSA-N
XLogP16.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.19
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 162408879?
The IUPAC name of CID 162408879 (CID 162408879) is not available.
What is the SMILES notation for CID 162408879?
The canonical SMILES for CID 162408879 is CC(C)c1cc(C(C)C)c(-c2cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c([Ge]Cl)c(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2)c(C(C)C)c1.
What is the InChIKey of CID 162408879?
The InChIKey is RKHIZHZXHSJMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H71ClGe/c1-27(2)36-19-40(30(7)8)48(41(20-36)31(9)10)39-25-46(49-42(32(11)12)21-37(28(3)4)22-43(49)33(13)14)51(53-52)47(26-39)50-44(34(15)16)23-38(29(5)6)24-45(50)35(17)18/h19-35H,1-18H3.
What are the key properties of CID 162408879?
CID 162408879 has a molecular weight of 792.19 g/mol, XLogP of 16.28, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162408879 is sourced from PubChem (CID 162408879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).