(2-cyanoimino-1,3-diphenylcyclopenta[a]inden-4-ylidene)cyanamide

C26H14N4 — CID 163645506

IUPAC(2-cyanoimino-1,3-diphenylcyclopenta[a]inden-4-ylidene)cyanamide
SMILESN#C/N=c1\c(-c2ccccc2)c2/c(=N/C#N)c3ccccc3c-2c1-c1ccccc1
InChIInChI=1S/C26H14N4/c27-15-29-25-20-14-8-7-13-19(20)23-21(17-9-3-1-4-10-17)26(30-16-28)22(24(23)25)18-11-5-2-6-12-18/h1-14H/b29-25+,30-26-
InChIKeyIHWFCIDJKSHGCM-LQJPZNDESA-N
MW382.43 g/mol
LogP4.92
Rot. Bonds2

About (2-cyanoimino-1,3-diphenylcyclopenta[a]inden-4-ylidene)cyanamide

(2-cyanoimino-1,3-diphenylcyclopenta[a]inden-4-ylidene)cyanamide (PubChem CID 163645506) has the molecular formula C26H14N4 and a molecular weight of 382.43 g/mol. Its IUPAC name is (2-cyanoimino-1,3-diphenylcyclopenta[a]inden-4-ylidene)cyanamide.

Molecular Properties

Compound Name(2-cyanoimino-1,3-diphenylcyclopenta[a]inden-4-ylidene)cyanamide
PubChem CID163645506
Molecular FormulaC26H14N4
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC Name(2-cyanoimino-1,3-diphenylcyclopenta[a]inden-4-ylidene)cyanamide
SMILESN#C/N=c1\c(-c2ccccc2)c2/c(=N/C#N)c3ccccc3c-2c1-c1ccccc1
InChIInChI=1S/C26H14N4/c27-15-29-25-20-14-8-7-13-19(20)23-21(17-9-3-1-4-10-17)26(30-16-28)22(24(23)25)18-11-5-2-6-12-18/h1-14H/b29-25+,30-26-
InChIKeyIHWFCIDJKSHGCM-LQJPZNDESA-N
XLogP4.92
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(12E)-12-isocyanoimino-5-phenylindeno[1,2-b]fluoren-6-ylidene]cyanamide
CID 58509829
[6-imino-5-phenyl-11-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 144950220
3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
[(12Z)-2,8-difluoro-12-isocyanoimino-5,11-diphenylindeno[1,2-b]fluoren-6-ylidene]cyanamide
CID 123848919
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
1,3-diphenylcyclopenta[a]indene-2,4-dione
CID 11393471
2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765818
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9-iodo-10-phenylanthracene
CID 14958373
4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile
CID 23579757
1-oxo-4-phenyl-2H-isoquinoline-3-carbonitrile
CID 15075779

Frequently Asked Questions

What is the IUPAC name of (2-cyanoimino-1,3-diphenylcyclopenta[a]inden-4-ylidene)cyanamide?
The IUPAC name of (2-cyanoimino-1,3-diphenylcyclopenta[a]inden-4-ylidene)cyanamide (CID 163645506) is (2-cyanoimino-1,3-diphenylcyclopenta[a]inden-4-ylidene)cyanamide.
What is the SMILES notation for (2-cyanoimino-1,3-diphenylcyclopenta[a]inden-4-ylidene)cyanamide?
The canonical SMILES for (2-cyanoimino-1,3-diphenylcyclopenta[a]inden-4-ylidene)cyanamide is N#C/N=c1\c(-c2ccccc2)c2/c(=N/C#N)c3ccccc3c-2c1-c1ccccc1.
What is the InChIKey of (2-cyanoimino-1,3-diphenylcyclopenta[a]inden-4-ylidene)cyanamide?
The InChIKey is IHWFCIDJKSHGCM-LQJPZNDESA-N. The full InChI is InChI=1S/C26H14N4/c27-15-29-25-20-14-8-7-13-19(20)23-21(17-9-3-1-4-10-17)26(30-16-28)22(24(23)25)18-11-5-2-6-12-18/h1-14H/b29-25+,30-26-.
What are the key properties of (2-cyanoimino-1,3-diphenylcyclopenta[a]inden-4-ylidene)cyanamide?
(2-cyanoimino-1,3-diphenylcyclopenta[a]inden-4-ylidene)cyanamide has a molecular weight of 382.43 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanoimino-1,3-diphenylcyclopenta[a]inden-4-ylidene)cyanamide is sourced from PubChem (CID 163645506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).