[Dipp*Ge(PhNNPh)GeDipp*].n-hexane

C78H98Ge2N2 — CID 139118906

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1-c1cccc(-c2c(C(C)C)cccc2C(C)C)c1[Ge]N(c1ccccc1)N([Ge]c1c(-c2c(C(C)C)cccc2C(C)C)cccc1-c1c(C(C)C)cccc1C(C)C)c1ccccc1.CCCCCC
InChIInChI=1S/C72H84Ge2N2.C6H14/c1-45(2)55-33-23-34-56(46(3)4)67(55)63-41-27-42-64(68-57(47(5)6)35-24-36-58(68)48(7)8)71(63)73-75(53-29-19-17-20-30-53)76(54-31-21-18-22-32-54)74-72-65(69-59(49(9)10)37-25-38-60(69)50(11)12)43-28-44-66(72)70-61(51(13)14)39-26-40-62(70)52(15)16;1-3-5-6-4-2/h17-52H,1-16H3;3-6H2,1-2H3
InChIKeyDEMQLVLTEXOLHX-UHFFFAOYSA-N
MW1208.88 g/mol
LogP22.05
Rot. Bonds22

About [Dipp*Ge(PhNNPh)GeDipp*].n-hexane

[Dipp*Ge(PhNNPh)GeDipp*].n-hexane (PubChem CID 139118906) has the molecular formula C78H98Ge2N2 and a molecular weight of 1208.88 g/mol.

Molecular Properties

Compound Name[Dipp*Ge(PhNNPh)GeDipp*].n-hexane
PubChem CID139118906
Molecular FormulaC78H98Ge2N2
Molecular Weight1208.88 g/mol
Exact Mass1210.62
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1-c1cccc(-c2c(C(C)C)cccc2C(C)C)c1[Ge]N(c1ccccc1)N([Ge]c1c(-c2c(C(C)C)cccc2C(C)C)cccc1-c1c(C(C)C)cccc1C(C)C)c1ccccc1.CCCCCC
InChIInChI=1S/C72H84Ge2N2.C6H14/c1-45(2)55-33-23-34-56(46(3)4)67(55)63-41-27-42-64(68-57(47(5)6)35-24-36-58(68)48(7)8)71(63)73-75(53-29-19-17-20-30-53)76(54-31-21-18-22-32-54)74-72-65(69-59(49(9)10)37-25-38-60(69)50(11)12)43-28-44-66(72)70-61(51(13)14)39-26-40-62(70)52(15)16;1-3-5-6-4-2/h17-52H,1-16H3;3-6H2,1-2H3
InChIKeyDEMQLVLTEXOLHX-UHFFFAOYSA-N
XLogP22.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001208.88
LogP ≤ 522.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [Dipp*Ge(PhNNPh)GeDipp*].n-hexane?
The IUPAC name of [Dipp*Ge(PhNNPh)GeDipp*].n-hexane (CID 139118906) is not available.
What is the SMILES notation for [Dipp*Ge(PhNNPh)GeDipp*].n-hexane?
The canonical SMILES for [Dipp*Ge(PhNNPh)GeDipp*].n-hexane is CC(C)c1cccc(C(C)C)c1-c1cccc(-c2c(C(C)C)cccc2C(C)C)c1[Ge]N(c1ccccc1)N([Ge]c1c(-c2c(C(C)C)cccc2C(C)C)cccc1-c1c(C(C)C)cccc1C(C)C)c1ccccc1.CCCCCC.
What is the InChIKey of [Dipp*Ge(PhNNPh)GeDipp*].n-hexane?
The InChIKey is DEMQLVLTEXOLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H84Ge2N2.C6H14/c1-45(2)55-33-23-34-56(46(3)4)67(55)63-41-27-42-64(68-57(47(5)6)35-24-36-58(68)48(7)8)71(63)73-75(53-29-19-17-20-30-53)76(54-31-21-18-22-32-54)74-72-65(69-59(49(9)10)37-25-38-60(69)50(11)12)43-28-44-66(72)70-61(51(13)14)39-26-40-62(70)52(15)16;1-3-5-6-4-2/h17-52H,1-16H3;3-6H2,1-2H3.
What are the key properties of [Dipp*Ge(PhNNPh)GeDipp*].n-hexane?
[Dipp*Ge(PhNNPh)GeDipp*].n-hexane has a molecular weight of 1208.88 g/mol, XLogP of 22.05, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [Dipp*Ge(PhNNPh)GeDipp*].n-hexane is sourced from PubChem (CID 139118906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).