[2-methyl-5-[(2E,4E)-6-methyl-5-[C-methyl-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]hepta-2,4,6-trien-2-yl]phenyl]methanol

C32H33NO — CID 143633402

IUPAC[2-methyl-5-[(2E,4E)-6-methyl-5-[C-methyl-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]hepta-2,4,6-trien-2-yl]phenyl]methanol
SMILESC=C(C)C(=C\C=C(/C)c1ccc(C)c(CO)c1)/C(C)=N\C(=C)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C32H33NO/c1-22(2)32(18-16-23(3)28-17-15-24(4)31(19-28)21-34)26(6)33-25(5)29-13-10-14-30(20-29)27-11-8-7-9-12-27/h7-20,34H,1,5,21H2,2-4,6H3/b23-16+,32-18+,33-26+
InChIKeyDZBHXGJATBZWJG-UXGRROMNSA-N
MW447.62 g/mol
LogP8.19
Rot. Bonds8

About [2-methyl-5-[(2E,4E)-6-methyl-5-[C-methyl-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]hepta-2,4,6-trien-2-yl]phenyl]methanol

[2-methyl-5-[(2E,4E)-6-methyl-5-[C-methyl-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]hepta-2,4,6-trien-2-yl]phenyl]methanol (PubChem CID 143633402) has the molecular formula C32H33NO and a molecular weight of 447.62 g/mol. Its IUPAC name is [2-methyl-5-[(2E,4E)-6-methyl-5-[C-methyl-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]hepta-2,4,6-trien-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-methyl-5-[(2E,4E)-6-methyl-5-[C-methyl-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]hepta-2,4,6-trien-2-yl]phenyl]methanol
PubChem CID143633402
Molecular FormulaC32H33NO
Molecular Weight447.62 g/mol
Exact Mass447.26
IUPAC Name[2-methyl-5-[(2E,4E)-6-methyl-5-[C-methyl-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]hepta-2,4,6-trien-2-yl]phenyl]methanol
SMILESC=C(C)C(=C\C=C(/C)c1ccc(C)c(CO)c1)/C(C)=N\C(=C)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C32H33NO/c1-22(2)32(18-16-23(3)28-17-15-24(4)31(19-28)21-34)26(6)33-25(5)29-13-10-14-30(20-29)27-11-8-7-9-12-27/h7-20,34H,1,5,21H2,2-4,6H3/b23-16+,32-18+,33-26+
InChIKeyDZBHXGJATBZWJG-UXGRROMNSA-N
XLogP8.19
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-[(2E,4E)-6-methyl-5-[C-methyl-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]hepta-2,4,6-trien-2-yl]phenyl]methanol?
The IUPAC name of [2-methyl-5-[(2E,4E)-6-methyl-5-[C-methyl-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]hepta-2,4,6-trien-2-yl]phenyl]methanol (CID 143633402) is [2-methyl-5-[(2E,4E)-6-methyl-5-[C-methyl-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]hepta-2,4,6-trien-2-yl]phenyl]methanol.
What is the SMILES notation for [2-methyl-5-[(2E,4E)-6-methyl-5-[C-methyl-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]hepta-2,4,6-trien-2-yl]phenyl]methanol?
The canonical SMILES for [2-methyl-5-[(2E,4E)-6-methyl-5-[C-methyl-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]hepta-2,4,6-trien-2-yl]phenyl]methanol is C=C(C)C(=C\C=C(/C)c1ccc(C)c(CO)c1)/C(C)=N\C(=C)c1cccc(-c2ccccc2)c1.
What is the InChIKey of [2-methyl-5-[(2E,4E)-6-methyl-5-[C-methyl-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]hepta-2,4,6-trien-2-yl]phenyl]methanol?
The InChIKey is DZBHXGJATBZWJG-UXGRROMNSA-N. The full InChI is InChI=1S/C32H33NO/c1-22(2)32(18-16-23(3)28-17-15-24(4)31(19-28)21-34)26(6)33-25(5)29-13-10-14-30(20-29)27-11-8-7-9-12-27/h7-20,34H,1,5,21H2,2-4,6H3/b23-16+,32-18+,33-26+.
What are the key properties of [2-methyl-5-[(2E,4E)-6-methyl-5-[C-methyl-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]hepta-2,4,6-trien-2-yl]phenyl]methanol?
[2-methyl-5-[(2E,4E)-6-methyl-5-[C-methyl-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]hepta-2,4,6-trien-2-yl]phenyl]methanol has a molecular weight of 447.62 g/mol, XLogP of 8.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-[(2E,4E)-6-methyl-5-[C-methyl-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]hepta-2,4,6-trien-2-yl]phenyl]methanol is sourced from PubChem (CID 143633402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).