(3E,5Z)-N-tert-butyl-2,4,6-triphenylhepta-1,3,5-trien-1-imine

C29H29N — CID 134873256

IUPAC(3E,5Z)-N-tert-butyl-2,4,6-triphenylhepta-1,3,5-trien-1-imine
SMILESC/C(=C/C(=C\C(=C=NC(C)(C)C)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29N/c1-23(24-14-8-5-9-15-24)20-27(25-16-10-6-11-17-25)21-28(22-30-29(2,3)4)26-18-12-7-13-19-26/h5-21H,1-4H3/b23-20-,27-21+
InChIKeyAJYDKCORFCWFIF-XSBZQNGPSA-N
MW391.56 g/mol
LogP7.73
Rot. Bonds5

About (3E,5Z)-N-tert-butyl-2,4,6-triphenylhepta-1,3,5-trien-1-imine

(3E,5Z)-N-tert-butyl-2,4,6-triphenylhepta-1,3,5-trien-1-imine (PubChem CID 134873256) has the molecular formula C29H29N and a molecular weight of 391.56 g/mol. Its IUPAC name is (3E,5Z)-N-tert-butyl-2,4,6-triphenylhepta-1,3,5-trien-1-imine.

Molecular Properties

Compound Name(3E,5Z)-N-tert-butyl-2,4,6-triphenylhepta-1,3,5-trien-1-imine
PubChem CID134873256
Molecular FormulaC29H29N
Molecular Weight391.56 g/mol
Exact Mass391.23
IUPAC Name(3E,5Z)-N-tert-butyl-2,4,6-triphenylhepta-1,3,5-trien-1-imine
SMILESC/C(=C/C(=C\C(=C=NC(C)(C)C)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29N/c1-23(24-14-8-5-9-15-24)20-27(25-16-10-6-11-17-25)21-28(22-30-29(2,3)4)26-18-12-7-13-19-26/h5-21H,1-4H3/b23-20-,27-21+
InChIKeyAJYDKCORFCWFIF-XSBZQNGPSA-N
XLogP7.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-triphenylhexa-2,4-dien-1-one
CID 628086
[(2E,4E)-6-bromo-4-phenylhepta-2,4,6-trien-2-yl]benzene
CID 126595609
4-phenylpent-3-en-2-one
CID 594380
ethane;4-phenylpent-3-en-2-one
CID 123324566
methyl (E)-3-phenylbut-2-enoate
CID 5354835
3-phenylbut-2-enoate
CID 6995278
1-tert-butyl-4-[(E)-2-phenylprop-1-enyl]benzene
CID 156672934
(1-amino-3-phenylbut-2-enylidene)urea
CID 57144193
1-bromoprop-1-en-2-ylbenzene
CID 5152757
[(E)-1-chloroprop-1-en-2-yl]benzene
CID 12504275
1-iodoprop-1-en-2-ylbenzene
CID 54065087
[(Z)-4-bromobut-2-en-2-yl]benzene
CID 68809722

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-tert-butyl-2,4,6-triphenylhepta-1,3,5-trien-1-imine?
The IUPAC name of (3E,5Z)-N-tert-butyl-2,4,6-triphenylhepta-1,3,5-trien-1-imine (CID 134873256) is (3E,5Z)-N-tert-butyl-2,4,6-triphenylhepta-1,3,5-trien-1-imine.
What is the SMILES notation for (3E,5Z)-N-tert-butyl-2,4,6-triphenylhepta-1,3,5-trien-1-imine?
The canonical SMILES for (3E,5Z)-N-tert-butyl-2,4,6-triphenylhepta-1,3,5-trien-1-imine is C/C(=C/C(=C\C(=C=NC(C)(C)C)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (3E,5Z)-N-tert-butyl-2,4,6-triphenylhepta-1,3,5-trien-1-imine?
The InChIKey is AJYDKCORFCWFIF-XSBZQNGPSA-N. The full InChI is InChI=1S/C29H29N/c1-23(24-14-8-5-9-15-24)20-27(25-16-10-6-11-17-25)21-28(22-30-29(2,3)4)26-18-12-7-13-19-26/h5-21H,1-4H3/b23-20-,27-21+.
What are the key properties of (3E,5Z)-N-tert-butyl-2,4,6-triphenylhepta-1,3,5-trien-1-imine?
(3E,5Z)-N-tert-butyl-2,4,6-triphenylhepta-1,3,5-trien-1-imine has a molecular weight of 391.56 g/mol, XLogP of 7.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-tert-butyl-2,4,6-triphenylhepta-1,3,5-trien-1-imine is sourced from PubChem (CID 134873256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).