2-[7-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile

C37H26N4 — CID 144925453

IUPAC2-[7-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile
SMILESN#CC(/C=C\N)=C/Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3cc(C#N)ccn3)ccc1-2
InChIInChI=1S/C37H26N4/c38-19-17-27(24-39)12-11-26-13-15-32-33-16-14-29(36-22-28(25-40)18-20-41-36)23-35(33)37(34(32)21-26,30-7-3-1-4-8-30)31-9-5-2-6-10-31/h1-10,12-23H,11,38H2/b19-17-,27-12+
InChIKeyCHUNBRSUCCUVBS-QEEAGEIBSA-N
MW526.64 g/mol
LogP7.45
Rot. Bonds6

About 2-[7-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile

2-[7-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile (PubChem CID 144925453) has the molecular formula C37H26N4 and a molecular weight of 526.64 g/mol. Its IUPAC name is 2-[7-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[7-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile
PubChem CID144925453
Molecular FormulaC37H26N4
Molecular Weight526.64 g/mol
Exact Mass526.22
IUPAC Name2-[7-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile
SMILESN#CC(/C=C\N)=C/Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3cc(C#N)ccn3)ccc1-2
InChIInChI=1S/C37H26N4/c38-19-17-27(24-39)12-11-26-13-15-32-33-16-14-29(36-22-28(25-40)18-20-41-36)23-35(33)37(34(32)21-26,30-7-3-1-4-8-30)31-9-5-2-6-10-31/h1-10,12-23H,11,38H2/b19-17-,27-12+
InChIKeyCHUNBRSUCCUVBS-QEEAGEIBSA-N
XLogP7.45
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[14-[4-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]phenyl]-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-21-yl]phenyl]pyridine-4-carbonitrile
CID 144925174
2-[7-(4-isocyano-2-pyridinyl)-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile
CID 140769533
(3E,5Z)-6-amino-4-[6-(9,9-diphenylfluoren-2-yl)-2-pyridinyl]hexa-3,5-dienenitrile
CID 144924992
2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile
CID 118397955
2-[5-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)-2-pyridinyl]pyridine-4-carbonitrile
CID 118398145
9,9-diphenyl-7-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluorene-2-carbonitrile
CID 158885257
7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 162776206
9,9-diphenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]fluorene-2-carbonitrile
CID 155767759
5-[6-[7-[6-(5-cyano-3-pyridinyl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 118397708
4-[4-(9,9-diphenylfluoren-2-yl)phenyl]pyridine-2-carbonitrile
CID 118397477
7-[3-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-ylphenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 171421517
7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-2-ylphenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 171422096

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[7-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile (CID 144925453) is 2-[7-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[7-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[7-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile is N#CC(/C=C\N)=C/Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3cc(C#N)ccn3)ccc1-2.
What is the InChIKey of 2-[7-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile?
The InChIKey is CHUNBRSUCCUVBS-QEEAGEIBSA-N. The full InChI is InChI=1S/C37H26N4/c38-19-17-27(24-39)12-11-26-13-15-32-33-16-14-29(36-22-28(25-40)18-20-41-36)23-35(33)37(34(32)21-26,30-7-3-1-4-8-30)31-9-5-2-6-10-31/h1-10,12-23H,11,38H2/b19-17-,27-12+.
What are the key properties of 2-[7-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile?
2-[7-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile has a molecular weight of 526.64 g/mol, XLogP of 7.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(2E,4Z)-5-amino-3-cyanopenta-2,4-dienyl]-9,9-diphenylfluoren-2-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 144925453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).