[6-imino-5-phenyl-11-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide

C28H14F3N3 — CID 144950220

IUPAC[6-imino-5-phenyl-11-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
SMILES[H]/N=c1\c2ccccc2c2c(C(F)(F)F)c3/c(=N/C#N)c4ccccc4c3c(-c3ccccc3)c12
InChIInChI=1S/C28H14F3N3/c29-28(30,31)25-22-16-10-4-6-12-18(16)26(33)23(22)20(15-8-2-1-3-9-15)21-17-11-5-7-13-19(17)27(24(21)25)34-14-32/h1-13,33H/b33-26+,34-27+
InChIKeyNMWSUNJQOCSWPS-HLZBKTFKSA-N
MW449.44 g/mol
LogP6.72
Rot. Bonds1

About [6-imino-5-phenyl-11-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide

[6-imino-5-phenyl-11-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide (PubChem CID 144950220) has the molecular formula C28H14F3N3 and a molecular weight of 449.44 g/mol. Its IUPAC name is [6-imino-5-phenyl-11-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide.

Molecular Properties

Compound Name[6-imino-5-phenyl-11-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
PubChem CID144950220
Molecular FormulaC28H14F3N3
Molecular Weight449.44 g/mol
Exact Mass449.11
IUPAC Name[6-imino-5-phenyl-11-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
SMILES[H]/N=c1\c2ccccc2c2c(C(F)(F)F)c3/c(=N/C#N)c4ccccc4c3c(-c3ccccc3)c12
InChIInChI=1S/C28H14F3N3/c29-28(30,31)25-22-16-10-4-6-12-18(16)26(33)23(22)20(15-8-2-1-3-9-15)21-17-11-5-7-13-19(17)27(24(21)25)34-14-32/h1-13,33H/b33-26+,34-27+
InChIKeyNMWSUNJQOCSWPS-HLZBKTFKSA-N
XLogP6.72
TPSA60.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.44
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[6-imino-5,11-diphenyl-2,8-bis(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 144950147
(2-cyanoimino-1,3-diphenylcyclopenta[a]inden-4-ylidene)cyanamide
CID 163645506
[(12E)-12-isocyanoimino-5-phenylindeno[1,2-b]fluoren-6-ylidene]cyanamide
CID 58509829
[(12Z)-2,8-difluoro-12-isocyanoimino-5,11-diphenylindeno[1,2-b]fluoren-6-ylidene]cyanamide
CID 123848919
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene
CID 177484765
9-phenyl-10-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene
CID 58730020
CID 102085627
CID 102085627
2,4,6-triphenyl-5-(trifluoromethyl)benzene-1,3-diamine
CID 170390398
4-(6-phenyl-5,11-dihydroindolo[3,2-b]carbazol-12-yl)-3-(trifluoromethyl)benzonitrile
CID 122431307
20-bromo-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaene-8-carbonitrile;22-bromo-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene-8-carbonitrile
CID 159680798
19,42-diphenylpentadecacyclo[26.18.2.22,5.17,14.130,37.03,24.04,21.06,20.08,13.025,47.029,43.031,36.044,48.018,50.041,49]dopentaconta-1(46),2,4,6,8,10,12,14(50),15,17,19,21,23,25(47),26,28(48),29,31,33,35,37(49),38,40,42,44,51-hexacosaene-16-carbonitrile
CID 146537860
22-methyl-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8-carbonitrile
CID 123593902

Frequently Asked Questions

What is the IUPAC name of [6-imino-5-phenyl-11-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide?
The IUPAC name of [6-imino-5-phenyl-11-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide (CID 144950220) is [6-imino-5-phenyl-11-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide.
What is the SMILES notation for [6-imino-5-phenyl-11-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide?
The canonical SMILES for [6-imino-5-phenyl-11-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide is [H]/N=c1\c2ccccc2c2c(C(F)(F)F)c3/c(=N/C#N)c4ccccc4c3c(-c3ccccc3)c12.
What is the InChIKey of [6-imino-5-phenyl-11-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide?
The InChIKey is NMWSUNJQOCSWPS-HLZBKTFKSA-N. The full InChI is InChI=1S/C28H14F3N3/c29-28(30,31)25-22-16-10-4-6-12-18(16)26(33)23(22)20(15-8-2-1-3-9-15)21-17-11-5-7-13-19(17)27(24(21)25)34-14-32/h1-13,33H/b33-26+,34-27+.
What are the key properties of [6-imino-5-phenyl-11-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide?
[6-imino-5-phenyl-11-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide has a molecular weight of 449.44 g/mol, XLogP of 6.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-imino-5-phenyl-11-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide is sourced from PubChem (CID 144950220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).