N-[2,6-di(propan-2-yl)phenyl]-1-(1,10-phenanthrolin-2-yl)-1-phenylmethanimine

C31H29N3 — CID 11984252

IUPACN-[2,6-di(propan-2-yl)phenyl]-1-(1,10-phenanthrolin-2-yl)-1-phenylmethanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\c1ccccc1)c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C31H29N3/c1-20(2)25-13-8-14-26(21(3)4)31(25)34-28(22-10-6-5-7-11-22)27-18-17-24-16-15-23-12-9-19-32-29(23)30(24)33-27/h5-21H,1-4H3/b34-28+
InChIKeyAYPKPCSIBORPQZ-CDSHQWRTSA-N
MW443.59 g/mol
LogP8.20
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-1-(1,10-phenanthrolin-2-yl)-1-phenylmethanimine

N-[2,6-di(propan-2-yl)phenyl]-1-(1,10-phenanthrolin-2-yl)-1-phenylmethanimine (PubChem CID 11984252) has the molecular formula C31H29N3 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-1-(1,10-phenanthrolin-2-yl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-1-(1,10-phenanthrolin-2-yl)-1-phenylmethanimine
PubChem CID11984252
Molecular FormulaC31H29N3
Molecular Weight443.59 g/mol
Exact Mass443.24
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-1-(1,10-phenanthrolin-2-yl)-1-phenylmethanimine
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\c1ccccc1)c1ccc2ccc3cccnc3c2n1
InChIInChI=1S/C31H29N3/c1-20(2)25-13-8-14-26(21(3)4)31(25)34-28(22-10-6-5-7-11-22)27-18-17-24-16-15-23-12-9-19-32-29(23)30(24)33-27/h5-21H,1-4H3/b34-28+
InChIKeyAYPKPCSIBORPQZ-CDSHQWRTSA-N
XLogP8.20
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2,6-di(propan-2-yl)phenyl]-1-(1,10-phenanthrolin-2-yl)-1-phenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-tert-butyl-6-propan-2-ylphenyl)-1-[6-[N-(2-tert-butyl-6-propan-2-ylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine
CID 90442403
N-(2-ethyl-6-propan-2-ylphenyl)-1-phenyl-1-pyridin-2-ylmethanimine
CID 142056339
1-phenyl-N-[4-[[4-[[phenyl(pyridin-2-yl)methylidene]amino]-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine
CID 101245464
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
CID 130350375
2-[N-[2,6-di(propan-2-yl)phenyl]-C-ethylcarbonimidoyl]quinolin-8-ol
CID 136749054
1-(4,5-diphenyl-1H-imidazol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
CID 137214882
1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
CID 58238566
1-[6-[N-(2-chloro-6-methylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-(2-methyl-6-propan-2-ylphenyl)-1-phenylmethanimine;iron(2+);bis(methanidyl(trimethyl)silane)
CID 162451118
N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-3-ylethanimine
CID 20639667
N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride
CID 22596623
osmium;tris(1,10-phenanthroline)
CID 14251798
1,10-phenanthroline;samarium
CID 174616745

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-(1,10-phenanthrolin-2-yl)-1-phenylmethanimine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-1-(1,10-phenanthrolin-2-yl)-1-phenylmethanimine (CID 11984252) is N-[2,6-di(propan-2-yl)phenyl]-1-(1,10-phenanthrolin-2-yl)-1-phenylmethanimine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-1-(1,10-phenanthrolin-2-yl)-1-phenylmethanimine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-1-(1,10-phenanthrolin-2-yl)-1-phenylmethanimine is CC(C)c1cccc(C(C)C)c1/N=C(\c1ccccc1)c1ccc2ccc3cccnc3c2n1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-1-(1,10-phenanthrolin-2-yl)-1-phenylmethanimine?
The InChIKey is AYPKPCSIBORPQZ-CDSHQWRTSA-N. The full InChI is InChI=1S/C31H29N3/c1-20(2)25-13-8-14-26(21(3)4)31(25)34-28(22-10-6-5-7-11-22)27-18-17-24-16-15-23-12-9-19-32-29(23)30(24)33-27/h5-21H,1-4H3/b34-28+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-1-(1,10-phenanthrolin-2-yl)-1-phenylmethanimine?
N-[2,6-di(propan-2-yl)phenyl]-1-(1,10-phenanthrolin-2-yl)-1-phenylmethanimine has a molecular weight of 443.59 g/mol, XLogP of 8.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-1-(1,10-phenanthrolin-2-yl)-1-phenylmethanimine is sourced from PubChem (CID 11984252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).