15-N,16-N-bis(2,6-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diimine

C32H28N2 — CID 102102822

IUPAC15-N,16-N-bis(2,6-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diimine
SMILESCc1cccc(C)c1/N=C1C(=N\c2c(C)cccc2C)\C2c3ccccc3C\1c1ccccc12
InChIInChI=1S/C32H28N2/c1-19-11-9-12-20(2)29(19)33-31-27-23-15-5-7-17-25(23)28(26-18-8-6-16-24(26)27)32(31)34-30-21(3)13-10-14-22(30)4/h5-18,27-28H,1-4H3/b33-31-,34-32+
InChIKeyHJKNNROXGYTKDV-IUQQBYGBSA-N
MW440.59 g/mol
LogP8.06
Rot. Bonds2

About 15-N,16-N-bis(2,6-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diimine

15-N,16-N-bis(2,6-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diimine (PubChem CID 102102822) has the molecular formula C32H28N2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 15-N,16-N-bis(2,6-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diimine.

Molecular Properties

Compound Name15-N,16-N-bis(2,6-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diimine
PubChem CID102102822
Molecular FormulaC32H28N2
Molecular Weight440.59 g/mol
Exact Mass440.23
IUPAC Name15-N,16-N-bis(2,6-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diimine
SMILESCc1cccc(C)c1/N=C1C(=N\c2c(C)cccc2C)\C2c3ccccc3C\1c1ccccc12
InChIInChI=1S/C32H28N2/c1-19-11-9-12-20(2)29(19)33-31-27-23-15-5-7-17-25(23)28(26-18-8-6-16-24(26)27)32(31)34-30-21(3)13-10-14-22(30)4/h5-18,27-28H,1-4H3/b33-31-,34-32+
InChIKeyHJKNNROXGYTKDV-IUQQBYGBSA-N
XLogP8.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 15-N,16-N-bis(2,6-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Bis(2,6-diisopropylphenylimino)butane
CID 608871
N-(9-Anthracenylmethylene)-2,4,6-trimethylaniline
CID 4644899
Bis(1-naphthylimino)acenaphthene
CID 58251389
1-naphthalen-2-yl-N-phenylethanimine
CID 291076
1,2-Di(2,6-diisopropylphenylimino)acenaphthene
CID 1818681
(NE)-2,4,6-tris(pentafluorophenyl)-N-(3-{[2,4,6-tris(pentafluorophenyl)phenyl]imino}butan-2-ylidene)aniline
CID 122212464
N,N'-[(2E,3E)-Butane-2,3-diylidene]bis[4-fluoro-2-(1-phenylethyl)aniline]
CID 139086596
2-N,3-N-bis[4-fluoro-2-methyl-6-(1-phenylethyl)phenyl]butane-2,3-diimine
CID 139240467
2-N,3-N-bis[4-fluoro-2-(1-phenylethyl)phenyl]butane-2,3-diimine
CID 139240469
(3S)-3-[(Z)-2-fluoro-3-naphthalen-2-ylprop-2-enyl]-2,3-dimethylindole
CID 168352453
1,2-Bis[(2,6-dimethylphenyl)imino]acenaphthene
CID 3538776
Benzenamine, N,N'-1,2-acenaphthylenediylidenebis[2,4,6-trimethyl-
CID 3541936

Frequently Asked Questions

What is the IUPAC name of 15-N,16-N-bis(2,6-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diimine?
The IUPAC name of 15-N,16-N-bis(2,6-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diimine (CID 102102822) is 15-N,16-N-bis(2,6-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diimine.
What is the SMILES notation for 15-N,16-N-bis(2,6-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diimine?
The canonical SMILES for 15-N,16-N-bis(2,6-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diimine is Cc1cccc(C)c1/N=C1C(=N\c2c(C)cccc2C)\C2c3ccccc3C\1c1ccccc12.
What is the InChIKey of 15-N,16-N-bis(2,6-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diimine?
The InChIKey is HJKNNROXGYTKDV-IUQQBYGBSA-N. The full InChI is InChI=1S/C32H28N2/c1-19-11-9-12-20(2)29(19)33-31-27-23-15-5-7-17-25(23)28(26-18-8-6-16-24(26)27)32(31)34-30-21(3)13-10-14-22(30)4/h5-18,27-28H,1-4H3/b33-31-,34-32+.
What are the key properties of 15-N,16-N-bis(2,6-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diimine?
15-N,16-N-bis(2,6-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diimine has a molecular weight of 440.59 g/mol, XLogP of 8.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-N,16-N-bis(2,6-dimethylphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diimine is sourced from PubChem (CID 102102822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).