1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline

C28H28N2 — CID 174367478

IUPAC1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline
SMILESCC1C=C(c2ccccc2)c2ccc3c(c2N1C)N(C)C(C)C=C3c1ccccc1
InChIInChI=1S/C28H28N2/c1-19-17-25(21-11-7-5-8-12-21)23-15-16-24-26(22-13-9-6-10-14-22)18-20(2)30(4)28(24)27(23)29(19)3/h5-20H,1-4H3
InChIKeyAPYRFTSOAFZUQK-UHFFFAOYSA-N
MW392.55 g/mol
LogP6.23
Rot. Bonds2

About 1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline

1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline (PubChem CID 174367478) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline.

Molecular Properties

Compound Name1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline
PubChem CID174367478
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC Name1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline
SMILESCC1C=C(c2ccccc2)c2ccc3c(c2N1C)N(C)C(C)C=C3c1ccccc1
InChIInChI=1S/C28H28N2/c1-19-17-25(21-11-7-5-8-12-21)23-15-16-24-26(22-13-9-6-10-14-22)18-20(2)30(4)28(24)27(23)29(19)3/h5-20H,1-4H3
InChIKeyAPYRFTSOAFZUQK-UHFFFAOYSA-N
XLogP6.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline?
The IUPAC name of 1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline (CID 174367478) is 1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline.
What is the SMILES notation for 1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline?
The canonical SMILES for 1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline is CC1C=C(c2ccccc2)c2ccc3c(c2N1C)N(C)C(C)C=C3c1ccccc1.
What is the InChIKey of 1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline?
The InChIKey is APYRFTSOAFZUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2/c1-19-17-25(21-11-7-5-8-12-21)23-15-16-24-26(22-13-9-6-10-14-22)18-20(2)30(4)28(24)27(23)29(19)3/h5-20H,1-4H3.
What are the key properties of 1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline?
1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline has a molecular weight of 392.55 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,9,10-tetramethyl-4,7-diphenyl-2,9-dihydro-1,10-phenanthroline is sourced from PubChem (CID 174367478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).