9-(dicyanomethyl)-3,6-diphenyl-9H-fluorene-2,7-dicarbonitrile

C30H16N4 — CID 166814043

IUPAC9-(dicyanomethyl)-3,6-diphenyl-9H-fluorene-2,7-dicarbonitrile
SMILESN#Cc1cc2c(cc1-c1ccccc1)-c1cc(-c3ccccc3)c(C#N)cc1C2C(C#N)C#N
InChIInChI=1S/C30H16N4/c31-15-21-11-28-26(13-24(21)19-7-3-1-4-8-19)27-14-25(20-9-5-2-6-10-20)22(16-32)12-29(27)30(28)23(17-33)18-34/h1-14,23,30H
InChIKeyUABXORSUALRVCC-UHFFFAOYSA-N
MW432.49 g/mol
LogP6.54
Rot. Bonds3

About 9-(dicyanomethyl)-3,6-diphenyl-9H-fluorene-2,7-dicarbonitrile

9-(dicyanomethyl)-3,6-diphenyl-9H-fluorene-2,7-dicarbonitrile (PubChem CID 166814043) has the molecular formula C30H16N4 and a molecular weight of 432.49 g/mol. Its IUPAC name is 9-(dicyanomethyl)-3,6-diphenyl-9H-fluorene-2,7-dicarbonitrile.

Molecular Properties

Compound Name9-(dicyanomethyl)-3,6-diphenyl-9H-fluorene-2,7-dicarbonitrile
PubChem CID166814043
Molecular FormulaC30H16N4
Molecular Weight432.49 g/mol
Exact Mass432.14
IUPAC Name9-(dicyanomethyl)-3,6-diphenyl-9H-fluorene-2,7-dicarbonitrile
SMILESN#Cc1cc2c(cc1-c1ccccc1)-c1cc(-c3ccccc3)c(C#N)cc1C2C(C#N)C#N
InChIInChI=1S/C30H16N4/c31-15-21-11-28-26(13-24(21)19-7-3-1-4-8-19)27-14-25(20-9-5-2-6-10-20)22(16-32)12-29(27)30(28)23(17-33)18-34/h1-14,23,30H
InChIKeyUABXORSUALRVCC-UHFFFAOYSA-N
XLogP6.54
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[cyano(isocyano)methyl]-7-isocyano-3,6-diphenyl-9H-fluorene-2-carbonitrile
CID 140942929
2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile
CID 100933714
5-(1-hydroxyethyl)-2-phenylbenzonitrile
CID 67456846
5,8-dibromo-3-phenylnaphthalene-2-carbonitrile
CID 102235921
4-hydroxy-2-phenylbenzonitrile
CID 66882443
5,12,18-tris(4-methylphenyl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11,17-tricarbonitrile
CID 168897078
3,6-diphenylbenzene-1,2-dicarbonitrile
CID 10945840
5-[methylsulfonyl(phenyl)methyl]-2-phenylbenzonitrile
CID 174262740
4-bromo-5-methoxy-2-phenylbenzonitrile
CID 175277846
4-iodo-5-methoxy-2-phenylbenzonitrile
CID 175277851
4,5-di(dibenzofuran-3-yl)-2-phenylbenzonitrile
CID 146355357
ethane;5-ethyl-2-phenylbenzonitrile
CID 145394501

Frequently Asked Questions

What is the IUPAC name of 9-(dicyanomethyl)-3,6-diphenyl-9H-fluorene-2,7-dicarbonitrile?
The IUPAC name of 9-(dicyanomethyl)-3,6-diphenyl-9H-fluorene-2,7-dicarbonitrile (CID 166814043) is 9-(dicyanomethyl)-3,6-diphenyl-9H-fluorene-2,7-dicarbonitrile.
What is the SMILES notation for 9-(dicyanomethyl)-3,6-diphenyl-9H-fluorene-2,7-dicarbonitrile?
The canonical SMILES for 9-(dicyanomethyl)-3,6-diphenyl-9H-fluorene-2,7-dicarbonitrile is N#Cc1cc2c(cc1-c1ccccc1)-c1cc(-c3ccccc3)c(C#N)cc1C2C(C#N)C#N.
What is the InChIKey of 9-(dicyanomethyl)-3,6-diphenyl-9H-fluorene-2,7-dicarbonitrile?
The InChIKey is UABXORSUALRVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N4/c31-15-21-11-28-26(13-24(21)19-7-3-1-4-8-19)27-14-25(20-9-5-2-6-10-20)22(16-32)12-29(27)30(28)23(17-33)18-34/h1-14,23,30H.
What are the key properties of 9-(dicyanomethyl)-3,6-diphenyl-9H-fluorene-2,7-dicarbonitrile?
9-(dicyanomethyl)-3,6-diphenyl-9H-fluorene-2,7-dicarbonitrile has a molecular weight of 432.49 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dicyanomethyl)-3,6-diphenyl-9H-fluorene-2,7-dicarbonitrile is sourced from PubChem (CID 166814043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).