(11-cyanoimino-6-hexacyclo[14.4.2.05,20.07,19.010,18.012,17]docosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaenylidene)cyanamide

C24H12N4 — CID 10316223

IUPAC(11-cyanoimino-6-hexacyclo[14.4.2.05,20.07,19.010,18.012,17]docosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaenylidene)cyanamide
SMILESN#C/N=c1\c2cccc3c2c2c1ccc1/c(=N/C#N)c4cccc(c4c12)CC3
InChIInChI=1S/C24H12N4/c25-11-27-23-15-5-1-3-13-7-8-14-4-2-6-16-20(14)22-18(24(16)28-12-26)10-9-17(23)21(22)19(13)15/h1-6,9-10H,7-8H2/b27-23+,28-24+
InChIKeyHODLOPRSJHROHE-LMCGJEQXSA-N
MW356.39 g/mol
LogP4.04
Rot. Bonds

About (11-cyanoimino-6-hexacyclo[14.4.2.05,20.07,19.010,18.012,17]docosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaenylidene)cyanamide

(11-cyanoimino-6-hexacyclo[14.4.2.05,20.07,19.010,18.012,17]docosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaenylidene)cyanamide (PubChem CID 10316223) has the molecular formula C24H12N4 and a molecular weight of 356.39 g/mol. Its IUPAC name is (11-cyanoimino-6-hexacyclo[14.4.2.05,20.07,19.010,18.012,17]docosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaenylidene)cyanamide.

Molecular Properties

Compound Name(11-cyanoimino-6-hexacyclo[14.4.2.05,20.07,19.010,18.012,17]docosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaenylidene)cyanamide
PubChem CID10316223
Molecular FormulaC24H12N4
Molecular Weight356.39 g/mol
Exact Mass356.11
IUPAC Name(11-cyanoimino-6-hexacyclo[14.4.2.05,20.07,19.010,18.012,17]docosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaenylidene)cyanamide
SMILESN#C/N=c1\c2cccc3c2c2c1ccc1/c(=N/C#N)c4cccc(c4c12)CC3
InChIInChI=1S/C24H12N4/c25-11-27-23-15-5-1-3-13-7-8-14-4-2-6-16-20(14)22-18(24(16)28-12-26)10-9-17(23)21(22)19(13)15/h1-6,9-10H,7-8H2/b27-23+,28-24+
InChIKeyHODLOPRSJHROHE-LMCGJEQXSA-N
XLogP4.04
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze (11-cyanoimino-6-hexacyclo[14.4.2.05,20.07,19.010,18.012,17]docosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaenylidene)cyanamide with MolForge

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Related Compounds

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CID 9570029
9,10-Anthraquinone diimine, N,N'-dicyano-2-methyl-
CID 623067
9,10-Anthraquinone diimine, N,N'-dicyano-2,3-dimethyl-
CID 625135
11-Diazobenzo[b]fluorene
CID 12122818
11-Diazo-11h-benzo[a]fluorene
CID 91374054
(E)-[(10E)-10-hydrazinylideneindeno[2,1-b]fluoren-12-ylidene]hydrazine
CID 9570030
[(6E)-2,8-bis(3-fluorophenyl)-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 58509759
[(12E)-12-isocyanoimino-2-(3-methylphenyl)-11-phenyl-8-[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide
CID 58509760
[(6E)-6-isocyanoimino-8-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 58509769
[(12E)-12-isocyanoimino-5-(4-methylphenyl)-11-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]cyanamide
CID 58509770
[(6E)-1,2,3,4-tetrafluoro-6-isocyanoimino-8-(3-methylphenyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 58509775
[(6Z)-2,4,8,10-tetrafluoro-6-isocyanoiminoindeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 58509776

Frequently Asked Questions

What is the IUPAC name of (11-cyanoimino-6-hexacyclo[14.4.2.05,20.07,19.010,18.012,17]docosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaenylidene)cyanamide?
The IUPAC name of (11-cyanoimino-6-hexacyclo[14.4.2.05,20.07,19.010,18.012,17]docosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaenylidene)cyanamide (CID 10316223) is (11-cyanoimino-6-hexacyclo[14.4.2.05,20.07,19.010,18.012,17]docosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaenylidene)cyanamide.
What is the SMILES notation for (11-cyanoimino-6-hexacyclo[14.4.2.05,20.07,19.010,18.012,17]docosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaenylidene)cyanamide?
The canonical SMILES for (11-cyanoimino-6-hexacyclo[14.4.2.05,20.07,19.010,18.012,17]docosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaenylidene)cyanamide is N#C/N=c1\c2cccc3c2c2c1ccc1/c(=N/C#N)c4cccc(c4c12)CC3.
What is the InChIKey of (11-cyanoimino-6-hexacyclo[14.4.2.05,20.07,19.010,18.012,17]docosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaenylidene)cyanamide?
The InChIKey is HODLOPRSJHROHE-LMCGJEQXSA-N. The full InChI is InChI=1S/C24H12N4/c25-11-27-23-15-5-1-3-13-7-8-14-4-2-6-16-20(14)22-18(24(16)28-12-26)10-9-17(23)21(22)19(13)15/h1-6,9-10H,7-8H2/b27-23+,28-24+.
What are the key properties of (11-cyanoimino-6-hexacyclo[14.4.2.05,20.07,19.010,18.012,17]docosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaenylidene)cyanamide?
(11-cyanoimino-6-hexacyclo[14.4.2.05,20.07,19.010,18.012,17]docosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaenylidene)cyanamide has a molecular weight of 356.39 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11-cyanoimino-6-hexacyclo[14.4.2.05,20.07,19.010,18.012,17]docosa-1(20),2,4,7(19),8,10(18),12,14,16-nonaenylidene)cyanamide is sourced from PubChem (CID 10316223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).