1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene

C30H26N6O2 — CID 53348773

IUPAC1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene
SMILES[N-]=[N+]=NCCOc1ccc(/C(=C(\c2ccccc2)c2ccc(OCCN=[N+]=[N-])cc2)c2ccccc2)cc1
InChIInChI=1S/C30H26N6O2/c31-35-33-19-21-37-27-15-11-25(12-16-27)29(23-7-3-1-4-8-23)30(24-9-5-2-6-10-24)26-13-17-28(18-14-26)38-22-20-34-36-32/h1-18H,19-22H2/b30-29+
InChIKeyBKTBSBANPFPBPC-QVIHXGFCSA-N
MW502.58 g/mol
LogP8.07
Rot. Bonds12

About 1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene

1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene (PubChem CID 53348773) has the molecular formula C30H26N6O2 and a molecular weight of 502.58 g/mol. Its IUPAC name is 1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene.

Molecular Properties

Compound Name1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene
PubChem CID53348773
Molecular FormulaC30H26N6O2
Molecular Weight502.58 g/mol
Exact Mass502.21
IUPAC Name1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene
SMILES[N-]=[N+]=NCCOc1ccc(/C(=C(\c2ccccc2)c2ccc(OCCN=[N+]=[N-])cc2)c2ccccc2)cc1
InChIInChI=1S/C30H26N6O2/c31-35-33-19-21-37-27-15-11-25(12-16-27)29(23-7-3-1-4-8-23)30(24-9-5-2-6-10-24)26-13-17-28(18-14-26)38-22-20-34-36-32/h1-18H,19-22H2/b30-29+
InChIKeyBKTBSBANPFPBPC-QVIHXGFCSA-N
XLogP8.07
TPSA115.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.58
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(6-azidohexoxy)-4-[(E)-2-[4-(6-azidohexoxy)phenyl]-1,2-diphenylethenyl]benzene
CID 102424524
1-(2-azidoethoxy)-4-(3,3,3-trifluoro-1,2-diphenylprop-1-enyl)benzene
CID 54272184
1-(2-bromoethoxy)-4-[2-[4-(2-bromoethoxy)phenyl]-1,2-diphenylethenyl]benzene
CID 66591459
3-[4-[1-[4-(3-hydroxypropoxy)phenyl]-2,2-diphenylethenyl]phenoxy]propan-1-ol
CID 177306952
1-(2-bromoethoxy)-4-(1,2,2-triphenylethenyl)benzene
CID 132516293
1-(azidomethyl)-4-[2-[4-(azidomethyl)phenyl]-1,2-diphenylethenyl]benzene
CID 72565768
[4-(sulfanylmethyl)phenyl] 4-(2-azidoethoxy)benzoate
CID 166729841
1-methyl-4-[(4-methylphenoxy)methoxy]benzene;1-methyl-4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]benzene
CID 158021334
3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
CID 70934822
1-[4-(3-azidopropoxy)phenyl]-2-methylpropan-1-one
CID 168836511
4-(2-azidoethoxy)-1,2-dichlorobenzene
CID 61397043
4-[(Z)-4-azido-1,2-diphenylbut-1-enyl]phenol
CID 118887290

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene?
The IUPAC name of 1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene (CID 53348773) is 1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene.
What is the SMILES notation for 1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene?
The canonical SMILES for 1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene is [N-]=[N+]=NCCOc1ccc(/C(=C(\c2ccccc2)c2ccc(OCCN=[N+]=[N-])cc2)c2ccccc2)cc1.
What is the InChIKey of 1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene?
The InChIKey is BKTBSBANPFPBPC-QVIHXGFCSA-N. The full InChI is InChI=1S/C30H26N6O2/c31-35-33-19-21-37-27-15-11-25(12-16-27)29(23-7-3-1-4-8-23)30(24-9-5-2-6-10-24)26-13-17-28(18-14-26)38-22-20-34-36-32/h1-18H,19-22H2/b30-29+.
What are the key properties of 1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene?
1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene has a molecular weight of 502.58 g/mol, XLogP of 8.07, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethoxy)-4-[(E)-2-[4-(2-azidoethoxy)phenyl]-1,2-diphenylethenyl]benzene is sourced from PubChem (CID 53348773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).