(Z,2Z)-2-[(methylideneamino)-phenylmethylidene]-N-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-ylmethyl)naphthalen-1-imine

C41H27N3O — CID 145261462

IUPAC(Z,2Z)-2-[(methylideneamino)-phenylmethylidene]-N-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-ylmethyl)naphthalen-1-imine
SMILESC=N/C(=C1/C=Cc2ccccc2/C1=N/Cn1c2ccccc2c2cc3ccc4c5ccccc5oc4c3cc21)c1ccccc1
InChIInChI=1S/C41H27N3O/c1-42-39(27-12-3-2-4-13-27)33-22-19-26-11-5-6-14-29(26)40(33)43-25-44-36-17-9-7-15-30(36)35-23-28-20-21-32-31-16-8-10-18-38(31)45-41(32)34(28)24-37(35)44/h2-24H,1,25H2/b39-33-,43-40-
InChIKeyASXSFBQVGHXALC-ICIANMMUSA-N
MW577.69 g/mol
LogP10.43
Rot. Bonds4

About (Z,2Z)-2-[(methylideneamino)-phenylmethylidene]-N-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-ylmethyl)naphthalen-1-imine

(Z,2Z)-2-[(methylideneamino)-phenylmethylidene]-N-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-ylmethyl)naphthalen-1-imine (PubChem CID 145261462) has the molecular formula C41H27N3O and a molecular weight of 577.69 g/mol. Its IUPAC name is (Z,2Z)-2-[(methylideneamino)-phenylmethylidene]-N-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-ylmethyl)naphthalen-1-imine.

Molecular Properties

Compound Name(Z,2Z)-2-[(methylideneamino)-phenylmethylidene]-N-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-ylmethyl)naphthalen-1-imine
PubChem CID145261462
Molecular FormulaC41H27N3O
Molecular Weight577.69 g/mol
Exact Mass577.22
IUPAC Name(Z,2Z)-2-[(methylideneamino)-phenylmethylidene]-N-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-ylmethyl)naphthalen-1-imine
SMILESC=N/C(=C1/C=Cc2ccccc2/C1=N/Cn1c2ccccc2c2cc3ccc4c5ccccc5oc4c3cc21)c1ccccc1
InChIInChI=1S/C41H27N3O/c1-42-39(27-12-3-2-4-13-27)33-22-19-26-11-5-6-14-29(26)40(33)43-25-44-36-17-9-7-15-30(36)35-23-28-20-21-32-31-16-8-10-18-38(31)45-41(32)34(28)24-37(35)44/h2-24H,1,25H2/b39-33-,43-40-
InChIKeyASXSFBQVGHXALC-ICIANMMUSA-N
XLogP10.43
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z,2Z)-2-[(methylideneamino)-phenylmethylidene]-N-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-ylmethyl)naphthalen-1-imine with MolForge

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Related Compounds

(Z,2Z)-2-[[(2Z,4Z)-7-bicyclo[4.2.2]deca-2,4,6(10),7-tetraenyl]-(methylideneamino)methylidene]-N-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-ylmethyl)naphthalen-1-imine
CID 145261608
(Z,2E)-N-(1,6-diazaoctacyclo[17.10.1.02,18.03,15.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaen-6-ylmethyl)-2-[(methylideneamino)-(3-phenylphenyl)methylidene]-1-benzothiophen-3-imine
CID 142290391
9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)carbazole
CID 146658758
27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene
CID 134434013
2-(4-naphtho[1,2-b][1]benzofuran-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 155474132
(E,Z)-N-([1]benzofuro[3,2-c]carbazol-5-yl)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine
CID 90132148
1-[6-(4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342497
5-[4-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 155042478
2-(3-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 155473814
5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166700520
5-[9-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 167347585
3-(4-naphtho[1,2-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 146658073

Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-2-[(methylideneamino)-phenylmethylidene]-N-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-ylmethyl)naphthalen-1-imine?
The IUPAC name of (Z,2Z)-2-[(methylideneamino)-phenylmethylidene]-N-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-ylmethyl)naphthalen-1-imine (CID 145261462) is (Z,2Z)-2-[(methylideneamino)-phenylmethylidene]-N-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-ylmethyl)naphthalen-1-imine.
What is the SMILES notation for (Z,2Z)-2-[(methylideneamino)-phenylmethylidene]-N-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-ylmethyl)naphthalen-1-imine?
The canonical SMILES for (Z,2Z)-2-[(methylideneamino)-phenylmethylidene]-N-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-ylmethyl)naphthalen-1-imine is C=N/C(=C1/C=Cc2ccccc2/C1=N/Cn1c2ccccc2c2cc3ccc4c5ccccc5oc4c3cc21)c1ccccc1.
What is the InChIKey of (Z,2Z)-2-[(methylideneamino)-phenylmethylidene]-N-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-ylmethyl)naphthalen-1-imine?
The InChIKey is ASXSFBQVGHXALC-ICIANMMUSA-N. The full InChI is InChI=1S/C41H27N3O/c1-42-39(27-12-3-2-4-13-27)33-22-19-26-11-5-6-14-29(26)40(33)43-25-44-36-17-9-7-15-30(36)35-23-28-20-21-32-31-16-8-10-18-38(31)45-41(32)34(28)24-37(35)44/h2-24H,1,25H2/b39-33-,43-40-.
What are the key properties of (Z,2Z)-2-[(methylideneamino)-phenylmethylidene]-N-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-ylmethyl)naphthalen-1-imine?
(Z,2Z)-2-[(methylideneamino)-phenylmethylidene]-N-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-ylmethyl)naphthalen-1-imine has a molecular weight of 577.69 g/mol, XLogP of 10.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-2-[(methylideneamino)-phenylmethylidene]-N-(3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-ylmethyl)naphthalen-1-imine is sourced from PubChem (CID 145261462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).