(2E)-4-[4-[6-[4-[(3E)-4-cyano-5-iminopenta-1,3-dien-2-yl]phenyl]naphthalen-2-yl]phenyl]-2-methanimidoylpenta-2,4-dienenitrile

C34H24N4 — CID 144924715

IUPAC(2E)-4-[4-[6-[4-[(3E)-4-cyano-5-iminopenta-1,3-dien-2-yl]phenyl]naphthalen-2-yl]phenyl]-2-methanimidoylpenta-2,4-dienenitrile
SMILES[H]/N=C/C(C#N)=C\C(=C)c1ccc(-c2ccc3cc(-c4ccc(C(=C)/C=C(C#N)\C=N\[H])cc4)ccc3c2)cc1
InChIInChI=1S/C34H24N4/c1-23(15-25(19-35)20-36)27-3-7-29(8-4-27)31-11-13-34-18-32(12-14-33(34)17-31)30-9-5-28(6-10-30)24(2)16-26(21-37)22-38/h3-19,21,35,37H,1-2H2/b25-15+,26-16+,35-19+,37-21+
InChIKeyRKHPNESQKSTYJF-GYZFVKJPSA-N
MW488.59 g/mol
LogP8.40
Rot. Bonds8

About (2E)-4-[4-[6-[4-[(3E)-4-cyano-5-iminopenta-1,3-dien-2-yl]phenyl]naphthalen-2-yl]phenyl]-2-methanimidoylpenta-2,4-dienenitrile

(2E)-4-[4-[6-[4-[(3E)-4-cyano-5-iminopenta-1,3-dien-2-yl]phenyl]naphthalen-2-yl]phenyl]-2-methanimidoylpenta-2,4-dienenitrile (PubChem CID 144924715) has the molecular formula C34H24N4 and a molecular weight of 488.59 g/mol. Its IUPAC name is (2E)-4-[4-[6-[4-[(3E)-4-cyano-5-iminopenta-1,3-dien-2-yl]phenyl]naphthalen-2-yl]phenyl]-2-methanimidoylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E)-4-[4-[6-[4-[(3E)-4-cyano-5-iminopenta-1,3-dien-2-yl]phenyl]naphthalen-2-yl]phenyl]-2-methanimidoylpenta-2,4-dienenitrile
PubChem CID144924715
Molecular FormulaC34H24N4
Molecular Weight488.59 g/mol
Exact Mass488.20
IUPAC Name(2E)-4-[4-[6-[4-[(3E)-4-cyano-5-iminopenta-1,3-dien-2-yl]phenyl]naphthalen-2-yl]phenyl]-2-methanimidoylpenta-2,4-dienenitrile
SMILES[H]/N=C/C(C#N)=C\C(=C)c1ccc(-c2ccc3cc(-c4ccc(C(=C)/C=C(C#N)\C=N\[H])cc4)ccc3c2)cc1
InChIInChI=1S/C34H24N4/c1-23(15-25(19-35)20-36)27-3-7-29(8-4-27)31-11-13-34-18-32(12-14-33(34)17-31)30-9-5-28(6-10-30)24(2)16-26(21-37)22-38/h3-19,21,35,37H,1-2H2/b25-15+,26-16+,35-19+,37-21+
InChIKeyRKHPNESQKSTYJF-GYZFVKJPSA-N
XLogP8.40
TPSA95.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 58.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-4-[4-[6-[4-[(3E)-4-cyano-5-iminopenta-1,3-dien-2-yl]phenyl]naphthalen-2-yl]phenyl]-2-methanimidoylpenta-2,4-dienenitrile with MolForge

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Related Compounds

ethane;(2E)-2-methanimidoyl-4-[4-(6,9,9-triphenylfluoren-3-yl)phenyl]penta-2,4-dienenitrile
CID 144924647
(2E)-4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]-2-methanimidoylpenta-2,4-dienenitrile
CID 144924907
3-cyano-3-(4-naphthalen-2-ylphenyl)prop-2-enoic acid
CID 175342510
(Z)-4-[4-[7'-[4-[(3Z)-5-cyanopenta-1,3-dien-2-yl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-5-imino-2-methylidenepent-3-enenitrile
CID 144924661
2-[4-(bromomethyl)phenyl]prop-2-en-1-imine
CID 170786407
6-[4-(6-carboxynaphthalen-2-yl)phenyl]naphthalene-2-carboxylic acid
CID 175448774
4-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 134317916
(Z)-2-(4-naphthalen-2-ylphenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile
CID 102262269
7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720
(E)-2-[(Z)-2-aminoethenyl]-4-(4-pyren-2-ylphenyl)but-2-enenitrile
CID 144924965
4-(3-cyanophenyl)benzenecarboximidamide
CID 6345365
2-phenyl-6-[2-(4-prop-1-en-2-ylphenyl)ethyl]naphthalene
CID 58428339

Frequently Asked Questions

What is the IUPAC name of (2E)-4-[4-[6-[4-[(3E)-4-cyano-5-iminopenta-1,3-dien-2-yl]phenyl]naphthalen-2-yl]phenyl]-2-methanimidoylpenta-2,4-dienenitrile?
The IUPAC name of (2E)-4-[4-[6-[4-[(3E)-4-cyano-5-iminopenta-1,3-dien-2-yl]phenyl]naphthalen-2-yl]phenyl]-2-methanimidoylpenta-2,4-dienenitrile (CID 144924715) is (2E)-4-[4-[6-[4-[(3E)-4-cyano-5-iminopenta-1,3-dien-2-yl]phenyl]naphthalen-2-yl]phenyl]-2-methanimidoylpenta-2,4-dienenitrile.
What is the SMILES notation for (2E)-4-[4-[6-[4-[(3E)-4-cyano-5-iminopenta-1,3-dien-2-yl]phenyl]naphthalen-2-yl]phenyl]-2-methanimidoylpenta-2,4-dienenitrile?
The canonical SMILES for (2E)-4-[4-[6-[4-[(3E)-4-cyano-5-iminopenta-1,3-dien-2-yl]phenyl]naphthalen-2-yl]phenyl]-2-methanimidoylpenta-2,4-dienenitrile is [H]/N=C/C(C#N)=C\C(=C)c1ccc(-c2ccc3cc(-c4ccc(C(=C)/C=C(C#N)\C=N\[H])cc4)ccc3c2)cc1.
What is the InChIKey of (2E)-4-[4-[6-[4-[(3E)-4-cyano-5-iminopenta-1,3-dien-2-yl]phenyl]naphthalen-2-yl]phenyl]-2-methanimidoylpenta-2,4-dienenitrile?
The InChIKey is RKHPNESQKSTYJF-GYZFVKJPSA-N. The full InChI is InChI=1S/C34H24N4/c1-23(15-25(19-35)20-36)27-3-7-29(8-4-27)31-11-13-34-18-32(12-14-33(34)17-31)30-9-5-28(6-10-30)24(2)16-26(21-37)22-38/h3-19,21,35,37H,1-2H2/b25-15+,26-16+,35-19+,37-21+.
What are the key properties of (2E)-4-[4-[6-[4-[(3E)-4-cyano-5-iminopenta-1,3-dien-2-yl]phenyl]naphthalen-2-yl]phenyl]-2-methanimidoylpenta-2,4-dienenitrile?
(2E)-4-[4-[6-[4-[(3E)-4-cyano-5-iminopenta-1,3-dien-2-yl]phenyl]naphthalen-2-yl]phenyl]-2-methanimidoylpenta-2,4-dienenitrile has a molecular weight of 488.59 g/mol, XLogP of 8.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-[4-[6-[4-[(3E)-4-cyano-5-iminopenta-1,3-dien-2-yl]phenyl]naphthalen-2-yl]phenyl]-2-methanimidoylpenta-2,4-dienenitrile is sourced from PubChem (CID 144924715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).