N,N-dimethyl-4-[(E)-[(Z)-(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)hydrazinylidene]methyl]aniline

C28H23N7 — CID 71653166

IUPACN,N-dimethyl-4-[(E)-[(Z)-(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)hydrazinylidene]methyl]aniline
SMILESCc1nn(-c2ccccc2)c2nc3c(nc12)/C(=N\N=C\c1ccc(N(C)C)cc1)c1ccccc1-3
InChIInChI=1S/C28H23N7/c1-18-24-28(35(33-18)21-9-5-4-6-10-21)31-25-22-11-7-8-12-23(22)26(27(25)30-24)32-29-17-19-13-15-20(16-14-19)34(2)3/h4-17H,1-3H3/b29-17+,32-26-
InChIKeyXNVRURJIUVGMNI-ZIAPKVEUSA-N
MW457.54 g/mol
LogP5.04
Rot. Bonds4

About N,N-dimethyl-4-[(E)-[(Z)-(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)hydrazinylidene]methyl]aniline

N,N-dimethyl-4-[(E)-[(Z)-(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)hydrazinylidene]methyl]aniline (PubChem CID 71653166) has the molecular formula C28H23N7 and a molecular weight of 457.54 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-[(Z)-(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)hydrazinylidene]methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-[(Z)-(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)hydrazinylidene]methyl]aniline
PubChem CID71653166
Molecular FormulaC28H23N7
Molecular Weight457.54 g/mol
Exact Mass457.20
IUPAC NameN,N-dimethyl-4-[(E)-[(Z)-(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)hydrazinylidene]methyl]aniline
SMILESCc1nn(-c2ccccc2)c2nc3c(nc12)/C(=N\N=C\c1ccc(N(C)C)cc1)c1ccccc1-3
InChIInChI=1S/C28H23N7/c1-18-24-28(35(33-18)21-9-5-4-6-10-21)31-25-22-11-7-8-12-23(22)26(27(25)30-24)32-29-17-19-13-15-20(16-14-19)34(2)3/h4-17H,1-3H3/b29-17+,32-26-
InChIKeyXNVRURJIUVGMNI-ZIAPKVEUSA-N
XLogP5.04
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.54
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_J(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-[(E)-[(Z)-(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)hydrazinylidene]methyl]aniline with MolForge

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Related Compounds

N,N-dimethyl-4-[(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)amino]aniline
CID 71653312
13-methyl-15-phenyl-11,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-8,9-dione
CID 155814510
12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene
CID 71652871
15-(4-bromophenyl)-13-methyl-11,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-8,9-dione
CID 155808265
3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline
CID 15882579
5-[4-(dimethylamino)phenyl]-1,8,8-trimethyl-3-phenyl-7,9-dihydropyrazolo[3,4-c]isoquinolin-6-one
CID 27036334
2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135443069
7,14-dimethyl-12-phenyl-3,6,8,10,12,13,16-heptazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,7,9,11(15),13-hexaene
CID 10495696
3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine
CID 14067721
N',N'-diacetyl-N-(7-methyl-5-phenylpyrazolo[5,4-e][1,2,4]triazin-3-yl)acetohydrazide
CID 13381785
7-methyl-5-phenyl-3-piperidin-1-ylpyrazolo[5,4-e][1,2,4]triazine
CID 13290929
N-[2-(6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 131737534

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-[(Z)-(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)hydrazinylidene]methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-[(Z)-(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)hydrazinylidene]methyl]aniline (CID 71653166) is N,N-dimethyl-4-[(E)-[(Z)-(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)hydrazinylidene]methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-[(Z)-(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)hydrazinylidene]methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-[(Z)-(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)hydrazinylidene]methyl]aniline is Cc1nn(-c2ccccc2)c2nc3c(nc12)/C(=N\N=C\c1ccc(N(C)C)cc1)c1ccccc1-3.
What is the InChIKey of N,N-dimethyl-4-[(E)-[(Z)-(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)hydrazinylidene]methyl]aniline?
The InChIKey is XNVRURJIUVGMNI-ZIAPKVEUSA-N. The full InChI is InChI=1S/C28H23N7/c1-18-24-28(35(33-18)21-9-5-4-6-10-21)31-25-22-11-7-8-12-23(22)26(27(25)30-24)32-29-17-19-13-15-20(16-14-19)34(2)3/h4-17H,1-3H3/b29-17+,32-26-.
What are the key properties of N,N-dimethyl-4-[(E)-[(Z)-(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)hydrazinylidene]methyl]aniline?
N,N-dimethyl-4-[(E)-[(Z)-(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)hydrazinylidene]methyl]aniline has a molecular weight of 457.54 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-[(Z)-(12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene)hydrazinylidene]methyl]aniline is sourced from PubChem (CID 71653166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).