(9E)-9-(2,2,2-triphenylethylidene)fluorene-2-carbonitrile

C34H23N — CID 177394564

IUPAC(9E)-9-(2,2,2-triphenylethylidene)fluorene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)/C(=C/C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-2
InChIInChI=1S/C34H23N/c35-24-25-20-21-31-29-18-10-11-19-30(29)33(32(31)22-25)23-34(26-12-4-1-5-13-26,27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-23H/b33-23+
InChIKeyAUMUQIZEXZDKPW-GZZLJNBRSA-N
MW445.57 g/mol
LogP8.00
Rot. Bonds4

About (9E)-9-(2,2,2-triphenylethylidene)fluorene-2-carbonitrile

(9E)-9-(2,2,2-triphenylethylidene)fluorene-2-carbonitrile (PubChem CID 177394564) has the molecular formula C34H23N and a molecular weight of 445.57 g/mol. Its IUPAC name is (9E)-9-(2,2,2-triphenylethylidene)fluorene-2-carbonitrile.

Molecular Properties

Compound Name(9E)-9-(2,2,2-triphenylethylidene)fluorene-2-carbonitrile
PubChem CID177394564
Molecular FormulaC34H23N
Molecular Weight445.57 g/mol
Exact Mass445.18
IUPAC Name(9E)-9-(2,2,2-triphenylethylidene)fluorene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)/C(=C/C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-2
InChIInChI=1S/C34H23N/c35-24-25-20-21-31-29-18-10-11-19-30(29)33(32(31)22-25)23-34(26-12-4-1-5-13-26,27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-23H/b33-23+
InChIKeyAUMUQIZEXZDKPW-GZZLJNBRSA-N
XLogP8.00
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9E)-9-(2,2,2-triphenylethylidene)fluorene-2-carbonitrile?
The IUPAC name of (9E)-9-(2,2,2-triphenylethylidene)fluorene-2-carbonitrile (CID 177394564) is (9E)-9-(2,2,2-triphenylethylidene)fluorene-2-carbonitrile.
What is the SMILES notation for (9E)-9-(2,2,2-triphenylethylidene)fluorene-2-carbonitrile?
The canonical SMILES for (9E)-9-(2,2,2-triphenylethylidene)fluorene-2-carbonitrile is N#Cc1ccc2c(c1)/C(=C/C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-2.
What is the InChIKey of (9E)-9-(2,2,2-triphenylethylidene)fluorene-2-carbonitrile?
The InChIKey is AUMUQIZEXZDKPW-GZZLJNBRSA-N. The full InChI is InChI=1S/C34H23N/c35-24-25-20-21-31-29-18-10-11-19-30(29)33(32(31)22-25)23-34(26-12-4-1-5-13-26,27-14-6-2-7-15-27)28-16-8-3-9-17-28/h1-23H/b33-23+.
What are the key properties of (9E)-9-(2,2,2-triphenylethylidene)fluorene-2-carbonitrile?
(9E)-9-(2,2,2-triphenylethylidene)fluorene-2-carbonitrile has a molecular weight of 445.57 g/mol, XLogP of 8.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-9-(2,2,2-triphenylethylidene)fluorene-2-carbonitrile is sourced from PubChem (CID 177394564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).