2,10-di(propan-2-yl)-3,4-dihydro-1H-2,7-phenanthroline

C18H24N2 — CID 168983906

IUPAC2,10-di(propan-2-yl)-3,4-dihydro-1H-2,7-phenanthroline
SMILESCC(C)c1ccnc2ccc3c(c12)CN(C(C)C)CC3
InChIInChI=1S/C18H24N2/c1-12(2)15-7-9-19-17-6-5-14-8-10-20(13(3)4)11-16(14)18(15)17/h5-7,9,12-13H,8,10-11H2,1-4H3
InChIKeyACWBCSQVOXEMOQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.12
Rot. Bonds2

About 2,10-di(propan-2-yl)-3,4-dihydro-1H-2,7-phenanthroline

2,10-di(propan-2-yl)-3,4-dihydro-1H-2,7-phenanthroline (PubChem CID 168983906) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2,10-di(propan-2-yl)-3,4-dihydro-1H-2,7-phenanthroline.

Molecular Properties

Compound Name2,10-di(propan-2-yl)-3,4-dihydro-1H-2,7-phenanthroline
PubChem CID168983906
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2,10-di(propan-2-yl)-3,4-dihydro-1H-2,7-phenanthroline
SMILESCC(C)c1ccnc2ccc3c(c12)CN(C(C)C)CC3
InChIInChI=1S/C18H24N2/c1-12(2)15-7-9-19-17-6-5-14-8-10-20(13(3)4)11-16(14)18(15)17/h5-7,9,12-13H,8,10-11H2,1-4H3
InChIKeyACWBCSQVOXEMOQ-UHFFFAOYSA-N
XLogP4.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,10-di(propan-2-yl)-3,4-dihydro-1H-2,7-phenanthroline?
The IUPAC name of 2,10-di(propan-2-yl)-3,4-dihydro-1H-2,7-phenanthroline (CID 168983906) is 2,10-di(propan-2-yl)-3,4-dihydro-1H-2,7-phenanthroline.
What is the SMILES notation for 2,10-di(propan-2-yl)-3,4-dihydro-1H-2,7-phenanthroline?
The canonical SMILES for 2,10-di(propan-2-yl)-3,4-dihydro-1H-2,7-phenanthroline is CC(C)c1ccnc2ccc3c(c12)CN(C(C)C)CC3.
What is the InChIKey of 2,10-di(propan-2-yl)-3,4-dihydro-1H-2,7-phenanthroline?
The InChIKey is ACWBCSQVOXEMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-12(2)15-7-9-19-17-6-5-14-8-10-20(13(3)4)11-16(14)18(15)17/h5-7,9,12-13H,8,10-11H2,1-4H3.
What are the key properties of 2,10-di(propan-2-yl)-3,4-dihydro-1H-2,7-phenanthroline?
2,10-di(propan-2-yl)-3,4-dihydro-1H-2,7-phenanthroline has a molecular weight of 268.40 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-di(propan-2-yl)-3,4-dihydro-1H-2,7-phenanthroline is sourced from PubChem (CID 168983906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).