1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine

C20H18N2O2 — CID 87328565

IUPAC1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine
SMILESC1=CC(=NOCc2ccccc2)C(=NOCc2ccccc2)C=C1
InChIInChI=1S/C20H18N2O2/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)22-24-16-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyKGIPNGKRYNYMEC-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.26
Rot. Bonds6

About 1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine

1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine (PubChem CID 87328565) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine
PubChem CID87328565
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine
SMILESC1=CC(=NOCc2ccccc2)C(=NOCc2ccccc2)C=C1
InChIInChI=1S/C20H18N2O2/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)22-24-16-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyKGIPNGKRYNYMEC-UHFFFAOYSA-N
XLogP4.26
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

carbon monoxide;iron;(Z)-N-phenylmethoxycyclohexa-2,4-dien-1-imine
CID 11046044
3,4,5,6-tetrachloro-1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine
CID 87328504
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diimine
CID 123594616
N-phenylmethoxymethanimine
CID 561610
2-phenylmethoxyiminocyclohexan-1-one
CID 123257370
(2Z)-2-phenylmethoxyiminocyclohexan-1-one
CID 88531753
2-phenylmethoxyiminopyridin-1-amine
CID 131885261
N-phenylmethoxy-10H-anthracen-9-imine
CID 174339688
phenylmethoxygallane
CID 173378988
benzyl nitrite;cyclohexane
CID 175094734
N-(pyridin-4-ylmethoxy)carbazol-4-imine
CID 143388410
(Z)-2,2,2-trichloro-N-phenylmethoxyethanimine
CID 11807168

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine?
The IUPAC name of 1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine (CID 87328565) is 1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine.
What is the SMILES notation for 1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine?
The canonical SMILES for 1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine is C1=CC(=NOCc2ccccc2)C(=NOCc2ccccc2)C=C1.
What is the InChIKey of 1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine?
The InChIKey is KGIPNGKRYNYMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)22-24-16-18-11-5-2-6-12-18/h1-14H,15-16H2.
What are the key properties of 1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine?
1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine has a molecular weight of 318.38 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(phenylmethoxy)cyclohexa-3,5-diene-1,2-diimine is sourced from PubChem (CID 87328565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).