4-N,4-N',5-N,5-N'-tetra(propan-2-yl)phenanthrene-4,5-dicarboximidamide

C28H38N4 — CID 132504336

IUPAC4-N,4-N',5-N,5-N'-tetra(propan-2-yl)phenanthrene-4,5-dicarboximidamide
SMILESCC(C)/N=C(\NC(C)C)c1cccc2ccc3cccc(/C(=N/C(C)C)NC(C)C)c3c12
InChIInChI=1S/C28H38N4/c1-17(2)29-27(30-18(3)4)23-13-9-11-21-15-16-22-12-10-14-24(26(22)25(21)23)28(31-19(5)6)32-20(7)8/h9-20H,1-8H3,(H,29,30)(H,31,32)
InChIKeyGXBSUYUPFIHHQQ-UHFFFAOYSA-N
MW430.64 g/mol
LogP6.30
Rot. Bonds6

About 4-N,4-N',5-N,5-N'-tetra(propan-2-yl)phenanthrene-4,5-dicarboximidamide

4-N,4-N',5-N,5-N'-tetra(propan-2-yl)phenanthrene-4,5-dicarboximidamide (PubChem CID 132504336) has the molecular formula C28H38N4 and a molecular weight of 430.64 g/mol. Its IUPAC name is 4-N,4-N',5-N,5-N'-tetra(propan-2-yl)phenanthrene-4,5-dicarboximidamide.

Molecular Properties

Compound Name4-N,4-N',5-N,5-N'-tetra(propan-2-yl)phenanthrene-4,5-dicarboximidamide
PubChem CID132504336
Molecular FormulaC28H38N4
Molecular Weight430.64 g/mol
Exact Mass430.31
IUPAC Name4-N,4-N',5-N,5-N'-tetra(propan-2-yl)phenanthrene-4,5-dicarboximidamide
SMILESCC(C)/N=C(\NC(C)C)c1cccc2ccc3cccc(/C(=N/C(C)C)NC(C)C)c3c12
InChIInChI=1S/C28H38N4/c1-17(2)29-27(30-18(3)4)23-13-9-11-21-15-16-22-12-10-14-24(26(22)25(21)23)28(31-19(5)6)32-20(7)8/h9-20H,1-8H3,(H,29,30)(H,31,32)
InChIKeyGXBSUYUPFIHHQQ-UHFFFAOYSA-N
XLogP6.30
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 11769428
6-(1,2,3,4-Tetrahydroisoquinolin-6-Ylethynyl)naphthalene-2-Carboximidamide
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2-(1-Naphthalenyl)-2-imidazoline
CID 26137
9,10-Anthracenedimethanamine, N,N'-bis(2-(dimethylamino)ethyl)-
CID 60242
N'-[4-[4-(9-anthrylmethylamino)butylamino]butyl]butane-1,4-diamine
CID 10875457
2,4,5-Triphenyl-2-imidazoline
CID 101777
N-(3-aminopropyl)-N'-[3-(anthracen-9-ylmethylamino)propyl]butane-1,4-diamine
CID 10962556
N'-benzylnaphthalene-2-carboximidamide
CID 20706473
6-[(E)-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethenyl]naphthalene-2-carboximidamide
CID 21707028
N'-[4-(anthracen-9-ylmethylamino)butyl]-N-methylbutane-1,4-diamine
CID 24854518
(4R,5S)-2-[(2-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388935
(4R,5S)-2-[2-(2-methylphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44389013

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N',5-N,5-N'-tetra(propan-2-yl)phenanthrene-4,5-dicarboximidamide?
The IUPAC name of 4-N,4-N',5-N,5-N'-tetra(propan-2-yl)phenanthrene-4,5-dicarboximidamide (CID 132504336) is 4-N,4-N',5-N,5-N'-tetra(propan-2-yl)phenanthrene-4,5-dicarboximidamide.
What is the SMILES notation for 4-N,4-N',5-N,5-N'-tetra(propan-2-yl)phenanthrene-4,5-dicarboximidamide?
The canonical SMILES for 4-N,4-N',5-N,5-N'-tetra(propan-2-yl)phenanthrene-4,5-dicarboximidamide is CC(C)/N=C(\NC(C)C)c1cccc2ccc3cccc(/C(=N/C(C)C)NC(C)C)c3c12.
What is the InChIKey of 4-N,4-N',5-N,5-N'-tetra(propan-2-yl)phenanthrene-4,5-dicarboximidamide?
The InChIKey is GXBSUYUPFIHHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4/c1-17(2)29-27(30-18(3)4)23-13-9-11-21-15-16-22-12-10-14-24(26(22)25(21)23)28(31-19(5)6)32-20(7)8/h9-20H,1-8H3,(H,29,30)(H,31,32).
What are the key properties of 4-N,4-N',5-N,5-N'-tetra(propan-2-yl)phenanthrene-4,5-dicarboximidamide?
4-N,4-N',5-N,5-N'-tetra(propan-2-yl)phenanthrene-4,5-dicarboximidamide has a molecular weight of 430.64 g/mol, XLogP of 6.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N',5-N,5-N'-tetra(propan-2-yl)phenanthrene-4,5-dicarboximidamide is sourced from PubChem (CID 132504336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).