CID 162409508

C42H55GeN — CID 162409508

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1N[Ge]c1c(-c2c(C(C)C)cccc2C(C)C)cccc1-c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C42H55GeN/c1-25(2)31-17-13-18-32(26(3)4)39(31)37-23-16-24-38(40-33(27(5)6)19-14-20-34(40)28(7)8)41(37)43-44-42-35(29(9)10)21-15-22-36(42)30(11)12/h13-30,44H,1-12H3
InChIKeyAWODKAGUFKDWIN-UHFFFAOYSA-N
MW646.52 g/mol
LogP12.12
Rot. Bonds11

About CID 162409508

CID 162409508 (PubChem CID 162409508) has the molecular formula C42H55GeN and a molecular weight of 646.52 g/mol.

Molecular Properties

Compound NameCID 162409508
PubChem CID162409508
Molecular FormulaC42H55GeN
Molecular Weight646.52 g/mol
Exact Mass647.35
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1N[Ge]c1c(-c2c(C(C)C)cccc2C(C)C)cccc1-c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C42H55GeN/c1-25(2)31-17-13-18-32(26(3)4)39(31)37-23-16-24-38(40-33(27(5)6)19-14-20-34(40)28(7)8)41(37)43-44-42-35(29(9)10)21-15-22-36(42)30(11)12/h13-30,44H,1-12H3
InChIKeyAWODKAGUFKDWIN-UHFFFAOYSA-N
XLogP12.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.52
LogP ≤ 512.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 162414945
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[Dipp*Ge(PhNNPh)GeDipp*].n-hexane
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CID 136704321
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[2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]imino-dichlorosilane
CID 102266315
N-[bromo-[2,6-di(propan-2-yl)anilino]boranyl]-2,6-di(propan-2-yl)aniline
CID 139128549
2-[[2,6-di(propan-2-yl)anilino]methyl]-6-phenylphenol
CID 174772916
bis([2,6-bis[2,6-di(propan-2-yl)phenyl]phenyl]azanide);nickel(2+);toluene
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CID 136741886
CID 136741886
2-ethyl-N-methyl-6-propan-2-ylaniline
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Frequently Asked Questions

What is the IUPAC name of CID 162409508?
The IUPAC name of CID 162409508 (CID 162409508) is not available.
What is the SMILES notation for CID 162409508?
The canonical SMILES for CID 162409508 is CC(C)c1cccc(C(C)C)c1N[Ge]c1c(-c2c(C(C)C)cccc2C(C)C)cccc1-c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of CID 162409508?
The InChIKey is AWODKAGUFKDWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H55GeN/c1-25(2)31-17-13-18-32(26(3)4)39(31)37-23-16-24-38(40-33(27(5)6)19-14-20-34(40)28(7)8)41(37)43-44-42-35(29(9)10)21-15-22-36(42)30(11)12/h13-30,44H,1-12H3.
What are the key properties of CID 162409508?
CID 162409508 has a molecular weight of 646.52 g/mol, XLogP of 12.12, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162409508 is sourced from PubChem (CID 162409508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).