[2,7-dipyridin-2-yl-3,6-bis(trifluoromethyl)fluoren-9-ylidene]cyanamide

C26H12F6N4 — CID 154028921

IUPAC[2,7-dipyridin-2-yl-3,6-bis(trifluoromethyl)fluoren-9-ylidene]cyanamide
SMILESN#CN=C1c2cc(-c3ccccn3)c(C(F)(F)F)cc2-c2cc(C(F)(F)F)c(-c3ccccn3)cc21
InChIInChI=1S/C26H12F6N4/c27-25(28,29)20-11-14-15-12-21(26(30,31)32)19(23-6-2-4-8-35-23)10-17(15)24(36-13-33)16(14)9-18(20)22-5-1-3-7-34-22/h1-12H
InChIKeySEXBLDRHJAXMQH-UHFFFAOYSA-N
MW494.40 g/mol
LogP7.15
Rot. Bonds2

About [2,7-dipyridin-2-yl-3,6-bis(trifluoromethyl)fluoren-9-ylidene]cyanamide

[2,7-dipyridin-2-yl-3,6-bis(trifluoromethyl)fluoren-9-ylidene]cyanamide (PubChem CID 154028921) has the molecular formula C26H12F6N4 and a molecular weight of 494.40 g/mol. Its IUPAC name is [2,7-dipyridin-2-yl-3,6-bis(trifluoromethyl)fluoren-9-ylidene]cyanamide.

Molecular Properties

Compound Name[2,7-dipyridin-2-yl-3,6-bis(trifluoromethyl)fluoren-9-ylidene]cyanamide
PubChem CID154028921
Molecular FormulaC26H12F6N4
Molecular Weight494.40 g/mol
Exact Mass494.10
IUPAC Name[2,7-dipyridin-2-yl-3,6-bis(trifluoromethyl)fluoren-9-ylidene]cyanamide
SMILESN#CN=C1c2cc(-c3ccccn3)c(C(F)(F)F)cc2-c2cc(C(F)(F)F)c(-c3ccccn3)cc21
InChIInChI=1S/C26H12F6N4/c27-25(28,29)20-11-14-15-12-21(26(30,31)32)19(23-6-2-4-8-35-23)10-17(15)24(36-13-33)16(14)9-18(20)22-5-1-3-7-34-22/h1-12H
InChIKeySEXBLDRHJAXMQH-UHFFFAOYSA-N
XLogP7.15
TPSA61.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.40
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[2,3,6,7-tetrakis(trifluoromethyl)fluoren-9-ylidene]cyanamide
CID 153207602
5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline
CID 163811294
2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine
CID 144740114
3-pyridin-2-yl-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 118507248
2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine
CID 20807365
3-pyridin-2-yl-2-(trifluoromethyl)pyridine
CID 68525561
2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine
CID 58939585
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine
CID 23443905
2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine
CID 102107805
2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;iridium
CID 59757598
6-(4-chlorophenyl)-2-pyridin-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 10618480

Frequently Asked Questions

What is the IUPAC name of [2,7-dipyridin-2-yl-3,6-bis(trifluoromethyl)fluoren-9-ylidene]cyanamide?
The IUPAC name of [2,7-dipyridin-2-yl-3,6-bis(trifluoromethyl)fluoren-9-ylidene]cyanamide (CID 154028921) is [2,7-dipyridin-2-yl-3,6-bis(trifluoromethyl)fluoren-9-ylidene]cyanamide.
What is the SMILES notation for [2,7-dipyridin-2-yl-3,6-bis(trifluoromethyl)fluoren-9-ylidene]cyanamide?
The canonical SMILES for [2,7-dipyridin-2-yl-3,6-bis(trifluoromethyl)fluoren-9-ylidene]cyanamide is N#CN=C1c2cc(-c3ccccn3)c(C(F)(F)F)cc2-c2cc(C(F)(F)F)c(-c3ccccn3)cc21.
What is the InChIKey of [2,7-dipyridin-2-yl-3,6-bis(trifluoromethyl)fluoren-9-ylidene]cyanamide?
The InChIKey is SEXBLDRHJAXMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12F6N4/c27-25(28,29)20-11-14-15-12-21(26(30,31)32)19(23-6-2-4-8-35-23)10-17(15)24(36-13-33)16(14)9-18(20)22-5-1-3-7-34-22/h1-12H.
What are the key properties of [2,7-dipyridin-2-yl-3,6-bis(trifluoromethyl)fluoren-9-ylidene]cyanamide?
[2,7-dipyridin-2-yl-3,6-bis(trifluoromethyl)fluoren-9-ylidene]cyanamide has a molecular weight of 494.40 g/mol, XLogP of 7.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,7-dipyridin-2-yl-3,6-bis(trifluoromethyl)fluoren-9-ylidene]cyanamide is sourced from PubChem (CID 154028921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).