2-[[2-[6-[1,3-bis[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]-2-pyridinyl]-3-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol

C41H41N5O4 — CID 136826803

IUPAC2-[[2-[6-[1,3-bis[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]-2-pyridinyl]-3-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol
SMILESCC(C/N=C\c1ccccc1O)(C/N=C/c1ccccc1O)c1cccc(C(C)(C/N=C\c2ccccc2O)C/N=C/c2ccccc2O)n1
InChIInChI=1S/C41H41N5O4/c1-40(26-42-22-30-12-3-7-16-34(30)47,27-43-23-31-13-4-8-17-35(31)48)38-20-11-21-39(46-38)41(2,28-44-24-32-14-5-9-18-36(32)49)29-45-25-33-15-6-10-19-37(33)50/h3-25,47-50H,26-29H2,1-2H3/b42-22-,43-23+,44-24-,45-25+
InChIKeyNSCRSPMKISGLNZ-DMVJKWDNSA-N
MW667.81 g/mol
LogP6.90
Rot. Bonds14

About 2-[[2-[6-[1,3-bis[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]-2-pyridinyl]-3-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol

2-[[2-[6-[1,3-bis[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]-2-pyridinyl]-3-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol (PubChem CID 136826803) has the molecular formula C41H41N5O4 and a molecular weight of 667.81 g/mol. Its IUPAC name is 2-[[2-[6-[1,3-bis[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]-2-pyridinyl]-3-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[2-[6-[1,3-bis[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]-2-pyridinyl]-3-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol
PubChem CID136826803
Molecular FormulaC41H41N5O4
Molecular Weight667.81 g/mol
Exact Mass667.32
IUPAC Name2-[[2-[6-[1,3-bis[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]-2-pyridinyl]-3-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol
SMILESCC(C/N=C\c1ccccc1O)(C/N=C/c1ccccc1O)c1cccc(C(C)(C/N=C\c2ccccc2O)C/N=C/c2ccccc2O)n1
InChIInChI=1S/C41H41N5O4/c1-40(26-42-22-30-12-3-7-16-34(30)47,27-43-23-31-13-4-8-17-35(31)48)38-20-11-21-39(46-38)41(2,28-44-24-32-14-5-9-18-36(32)49)29-45-25-33-15-6-10-19-37(33)50/h3-25,47-50H,26-29H2,1-2H3/b42-22-,43-23+,44-24-,45-25+
InChIKeyNSCRSPMKISGLNZ-DMVJKWDNSA-N
XLogP6.90
TPSA143.25 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 56.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[[2-[6-[1,3-bis[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]-2-pyridinyl]-3-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol with MolForge

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Related Compounds

bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
2-N,6-N-bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]pyridine-2,6-dicarboxamide
CID 135405887
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal
CID 136613128
2-(2-methylbutan-2-yliminomethyl)phenol
CID 153389272
5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine
CID 161425693
oxovanadium;bis(2-(propyliminomethyl)phenol)
CID 5242411

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[6-[1,3-bis[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]-2-pyridinyl]-3-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol?
The IUPAC name of 2-[[2-[6-[1,3-bis[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]-2-pyridinyl]-3-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol (CID 136826803) is 2-[[2-[6-[1,3-bis[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]-2-pyridinyl]-3-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[2-[6-[1,3-bis[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]-2-pyridinyl]-3-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol?
The canonical SMILES for 2-[[2-[6-[1,3-bis[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]-2-pyridinyl]-3-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol is CC(C/N=C\c1ccccc1O)(C/N=C/c1ccccc1O)c1cccc(C(C)(C/N=C\c2ccccc2O)C/N=C/c2ccccc2O)n1.
What is the InChIKey of 2-[[2-[6-[1,3-bis[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]-2-pyridinyl]-3-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol?
The InChIKey is NSCRSPMKISGLNZ-DMVJKWDNSA-N. The full InChI is InChI=1S/C41H41N5O4/c1-40(26-42-22-30-12-3-7-16-34(30)47,27-43-23-31-13-4-8-17-35(31)48)38-20-11-21-39(46-38)41(2,28-44-24-32-14-5-9-18-36(32)49)29-45-25-33-15-6-10-19-37(33)50/h3-25,47-50H,26-29H2,1-2H3/b42-22-,43-23+,44-24-,45-25+.
What are the key properties of 2-[[2-[6-[1,3-bis[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]-2-pyridinyl]-3-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol?
2-[[2-[6-[1,3-bis[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]-2-pyridinyl]-3-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol has a molecular weight of 667.81 g/mol, XLogP of 6.90, 14 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[6-[1,3-bis[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]-2-pyridinyl]-3-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol is sourced from PubChem (CID 136826803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).