N-[(E)-(4-aminophenyl)methylideneamino]-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-amine

C27H19N5O — CID 11711643

IUPACN-[(E)-(4-aminophenyl)methylideneamino]-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-amine
SMILESNc1ccc(/C=N/Nc2nc(-c3ccccc3)nc3c2oc2ccc4ccccc4c23)cc1
InChIInChI=1S/C27H19N5O/c28-20-13-10-17(11-14-20)16-29-32-27-25-24(30-26(31-27)19-7-2-1-3-8-19)23-21-9-5-4-6-18(21)12-15-22(23)33-25/h1-16H,28H2,(H,30,31,32)/b29-16+
InChIKeyADWXFNRZLXTWGG-MUFRIFMGSA-N
MW429.48 g/mol
LogP6.22
Rot. Bonds4

About N-[(E)-(4-aminophenyl)methylideneamino]-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-amine

N-[(E)-(4-aminophenyl)methylideneamino]-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-amine (PubChem CID 11711643) has the molecular formula C27H19N5O and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[(E)-(4-aminophenyl)methylideneamino]-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-amine.

Molecular Properties

Compound NameN-[(E)-(4-aminophenyl)methylideneamino]-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-amine
PubChem CID11711643
Molecular FormulaC27H19N5O
Molecular Weight429.48 g/mol
Exact Mass429.16
IUPAC NameN-[(E)-(4-aminophenyl)methylideneamino]-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-amine
SMILESNc1ccc(/C=N/Nc2nc(-c3ccccc3)nc3c2oc2ccc4ccccc4c23)cc1
InChIInChI=1S/C27H19N5O/c28-20-13-10-17(11-14-20)16-29-32-27-25-24(30-26(31-27)19-7-2-1-3-8-19)23-21-9-5-4-6-18(21)12-15-22(23)33-25/h1-16H,28H2,(H,30,31,32)/b29-16+
InChIKeyADWXFNRZLXTWGG-MUFRIFMGSA-N
XLogP6.22
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(4-aminophenyl)methylideneamino]-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-amine with MolForge

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Related Compounds

13-phenyl-15-(4-phenylphenyl)-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 129128802
2-[(E)-[(15-methyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)hydrazinylidene]methyl]phenol
CID 135487346
N-[(E)-(3-nitrophenyl)methylideneamino]-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-amine
CID 11646656
2-[3-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-7-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139576754
15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 118551545
2-(4-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166739181
2-(25-oxahexacyclo[12.11.0.02,11.03,8.015,24.016,21]pentacosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaen-13-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 166845546
2-[10-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)anthracen-9-yl]-4,6-diphenyl-1,3,5-triazine
CID 126764227
N-(3-methylbutyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3769904
2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 2024503
2-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166025645
2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol
CID 4014004

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-aminophenyl)methylideneamino]-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-amine?
The IUPAC name of N-[(E)-(4-aminophenyl)methylideneamino]-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-amine (CID 11711643) is N-[(E)-(4-aminophenyl)methylideneamino]-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-amine.
What is the SMILES notation for N-[(E)-(4-aminophenyl)methylideneamino]-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-amine?
The canonical SMILES for N-[(E)-(4-aminophenyl)methylideneamino]-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-amine is Nc1ccc(/C=N/Nc2nc(-c3ccccc3)nc3c2oc2ccc4ccccc4c23)cc1.
What is the InChIKey of N-[(E)-(4-aminophenyl)methylideneamino]-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-amine?
The InChIKey is ADWXFNRZLXTWGG-MUFRIFMGSA-N. The full InChI is InChI=1S/C27H19N5O/c28-20-13-10-17(11-14-20)16-29-32-27-25-24(30-26(31-27)19-7-2-1-3-8-19)23-21-9-5-4-6-18(21)12-15-22(23)33-25/h1-16H,28H2,(H,30,31,32)/b29-16+.
What are the key properties of N-[(E)-(4-aminophenyl)methylideneamino]-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-amine?
N-[(E)-(4-aminophenyl)methylideneamino]-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-amine has a molecular weight of 429.48 g/mol, XLogP of 6.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-aminophenyl)methylideneamino]-15-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-amine is sourced from PubChem (CID 11711643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).