1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine

C24H22N4 — CID 20789346

IUPAC1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine
SMILESCc1ccc(C)n1/N=C1C(=N/n2c(C)ccc2C)/c2cccc3cccc/1c23
InChIInChI=1S/C24H22N4/c1-15-11-12-16(2)27(15)25-23-20-9-5-7-19-8-6-10-21(22(19)20)24(23)26-28-17(3)13-14-18(28)4/h5-14H,1-4H3/b25-23+,26-24+
InChIKeyCRIOWZXCCZJEHM-OGGGYYITSA-N
MW366.47 g/mol
LogP5.19
Rot. Bonds2

About 1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine

1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine (PubChem CID 20789346) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine
PubChem CID20789346
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine
SMILESCc1ccc(C)n1/N=C1C(=N/n2c(C)ccc2C)/c2cccc3cccc/1c23
InChIInChI=1S/C24H22N4/c1-15-11-12-16(2)27(15)25-23-20-9-5-7-19-8-6-10-21(22(19)20)24(23)26-28-17(3)13-14-18(28)4/h5-14H,1-4H3/b25-23+,26-24+
InChIKeyCRIOWZXCCZJEHM-OGGGYYITSA-N
XLogP5.19
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine
CID 173468101
fluoranthene
CID 139203734
tri(dmp-BIAN)Ga
CID 139168373
7,12-dimethylpleiadene
CID 132501429
fluoranthene;toluene
CID 173324369
1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;(E)-N,N'-bis(2,5-dimethylpyrrol-1-yl)ethane-1,2-diimine;2-N,3-N-bis(2,5-diphenylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-diphenylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis[2,5-di(propan-2-yl)pyrrol-1-yl]butane-2,3-diimine;1-N,2-N-bis(2-methyl-5-phenylpyrrol-1-yl)acenaphthylene-1,2-diimine;2-N,3-N-bis(2-methyl-5-phenylpyrrol-1-yl)butane-2,3-diimine;methyl 2-methylpropanoate;nickel(2+)
CID 172939557
11,14-dimethyl-12,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 42638865
1-N,2-N-bis(4-tert-butyl-2,6-dimethylphenyl)acenaphthylene-1,2-diimine
CID 20789308
ethane;fluoranthene;triphenylene
CID 160720447
benzo[k]fluoranthene;ethane
CID 142369852
2-(2,3,4,5,6-pentamethylphenyl)benzo[de]isoquinoline-1,3-dione
CID 132965970
1-N,2-N-bis(2,4,6-trimethylphenyl)acenaphthylene-1,2-diimine;bromonickel;carbanide
CID 20789300

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine?
The IUPAC name of 1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine (CID 20789346) is 1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine.
What is the SMILES notation for 1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine?
The canonical SMILES for 1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine is Cc1ccc(C)n1/N=C1C(=N/n2c(C)ccc2C)/c2cccc3cccc/1c23.
What is the InChIKey of 1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine?
The InChIKey is CRIOWZXCCZJEHM-OGGGYYITSA-N. The full InChI is InChI=1S/C24H22N4/c1-15-11-12-16(2)27(15)25-23-20-9-5-7-19-8-6-10-21(22(19)20)24(23)26-28-17(3)13-14-18(28)4/h5-14H,1-4H3/b25-23+,26-24+.
What are the key properties of 1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine?
1-N,2-N-bis(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine has a molecular weight of 366.47 g/mol, XLogP of 5.19, 2 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(2,5-dimethylpyrrol-1-yl)acenaphthylene-1,2-diimine is sourced from PubChem (CID 20789346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).