methanimine;perylene-3,4-dicarbonyl chloride

C24H16Cl2N2O2 — CID 175017468

IUPACmethanimine;perylene-3,4-dicarbonyl chloride
SMILESO=C(Cl)c1ccc2c3cccc4cccc(c5ccc(C(=O)Cl)c1c25)c43.[H]N=C.[H]N=C
InChIInChI=1S/C22H10Cl2O2.2CH3N/c23-21(25)16-9-7-14-12-5-1-3-11-4-2-6-13(18(11)12)15-8-10-17(22(24)26)20(16)19(14)15;2*1-2/h1-10H;2*2H,1H2
InChIKeyNDCBUGBLXNIOOX-UHFFFAOYSA-N
MW435.31 g/mol
LogP7.03
Rot. Bonds2

About methanimine;perylene-3,4-dicarbonyl chloride

methanimine;perylene-3,4-dicarbonyl chloride (PubChem CID 175017468) has the molecular formula C24H16Cl2N2O2 and a molecular weight of 435.31 g/mol. Its IUPAC name is methanimine;perylene-3,4-dicarbonyl chloride.

Molecular Properties

Compound Namemethanimine;perylene-3,4-dicarbonyl chloride
PubChem CID175017468
Molecular FormulaC24H16Cl2N2O2
Molecular Weight435.31 g/mol
Exact Mass434.06
IUPAC Namemethanimine;perylene-3,4-dicarbonyl chloride
SMILESO=C(Cl)c1ccc2c3cccc4cccc(c5ccc(C(=O)Cl)c1c25)c43.[H]N=C.[H]N=C
InChIInChI=1S/C22H10Cl2O2.2CH3N/c23-21(25)16-9-7-14-12-5-1-3-11-4-2-6-13(18(11)12)15-8-10-17(22(24)26)20(16)19(14)15;2*1-2/h1-10H;2*2H,1H2
InChIKeyNDCBUGBLXNIOOX-UHFFFAOYSA-N
XLogP7.03
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.31
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze methanimine;perylene-3,4-dicarbonyl chloride 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

9,10-dicarbamoylperylene-3-carbonyl chloride
CID 87937117
heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
naphthalene-1,4,5-tricarbonyl chloride
CID 139807498
9,10-dimethylperylene-3-carbonyl chloride
CID 59847145
pyrene-4-carbonyl chloride
CID 71349063
acetic acid;perylene
CID 175230474
carbamic acid;perylene
CID 22363514
tridecacyclo[26.12.2.25,8.19,13.129,33.02,24.04,22.06,21.07,18.025,41.038,42.017,44.037,43]hexatetraconta-1(41),2(24),3,5,7,9,11,13(44),14,16,18,20,22,25,27,29,31,33(43),34,36,38(42),39,45-tricosaene
CID 123956616
anthracene-1,4-dicarbonyl chloride
CID 21424527
8-methoxynaphthalene-1-carbonyl chloride
CID 14175958
decacyclo[19.13.1.122,26.02,7.03,20.04,17.05,14.06,11.031,35.030,36]hexatriaconta-1(34),2,4(17),5(14),6(11),7,9,12,15,18,20,22,24,26(36),27,29,31(35),32-octadecaene
CID 14087516
benzene-1,2-diol;perylene
CID 175494116

Frequently Asked Questions

What is the IUPAC name of methanimine;perylene-3,4-dicarbonyl chloride?
The IUPAC name of methanimine;perylene-3,4-dicarbonyl chloride (CID 175017468) is methanimine;perylene-3,4-dicarbonyl chloride.
What is the SMILES notation for methanimine;perylene-3,4-dicarbonyl chloride?
The canonical SMILES for methanimine;perylene-3,4-dicarbonyl chloride is O=C(Cl)c1ccc2c3cccc4cccc(c5ccc(C(=O)Cl)c1c25)c43.[H]N=C.[H]N=C.
What is the InChIKey of methanimine;perylene-3,4-dicarbonyl chloride?
The InChIKey is NDCBUGBLXNIOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10Cl2O2.2CH3N/c23-21(25)16-9-7-14-12-5-1-3-11-4-2-6-13(18(11)12)15-8-10-17(22(24)26)20(16)19(14)15;2*1-2/h1-10H;2*2H,1H2.
What are the key properties of methanimine;perylene-3,4-dicarbonyl chloride?
methanimine;perylene-3,4-dicarbonyl chloride has a molecular weight of 435.31 g/mol, XLogP of 7.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanimine;perylene-3,4-dicarbonyl chloride is sourced from PubChem (CID 175017468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).