2-[4-[4-[(Z)-5-(2,3-dihydronaphthalen-2-yl)hex-3-en-2-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]ethanimine

C34H37N — CID 88530027

IUPAC2-[4-[4-[(Z)-5-(2,3-dihydronaphthalen-2-yl)hex-3-en-2-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]ethanimine
SMILES[H]/N=C/CC1=c2ccccc2=C(C2=CC=C(C(C)/C=C\C(C)C3C=c4ccccc4=CC3)CC2)CC1
InChIInChI=1S/C34H37N/c1-24(11-12-25(2)30-18-15-27-7-3-4-8-31(27)23-30)26-13-16-28(17-14-26)33-20-19-29(21-22-35)32-9-5-6-10-34(32)33/h3-13,15-16,22-25,30,35H,14,17-21H2,1-2H3/b12-11-,35-22+
InChIKeyDVYOVDXGLVWZSH-OOJQLMCSSA-N
MW459.68 g/mol
LogP5.58
Rot. Bonds7

About 2-[4-[4-[(Z)-5-(2,3-dihydronaphthalen-2-yl)hex-3-en-2-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]ethanimine

2-[4-[4-[(Z)-5-(2,3-dihydronaphthalen-2-yl)hex-3-en-2-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]ethanimine (PubChem CID 88530027) has the molecular formula C34H37N and a molecular weight of 459.68 g/mol. Its IUPAC name is 2-[4-[4-[(Z)-5-(2,3-dihydronaphthalen-2-yl)hex-3-en-2-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]ethanimine.

Molecular Properties

Compound Name2-[4-[4-[(Z)-5-(2,3-dihydronaphthalen-2-yl)hex-3-en-2-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]ethanimine
PubChem CID88530027
Molecular FormulaC34H37N
Molecular Weight459.68 g/mol
Exact Mass459.29
IUPAC Name2-[4-[4-[(Z)-5-(2,3-dihydronaphthalen-2-yl)hex-3-en-2-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]ethanimine
SMILES[H]/N=C/CC1=c2ccccc2=C(C2=CC=C(C(C)/C=C\C(C)C3C=c4ccccc4=CC3)CC2)CC1
InChIInChI=1S/C34H37N/c1-24(11-12-25(2)30-18-15-27-7-3-4-8-31(27)23-30)26-13-16-28(17-14-26)33-20-19-29(21-22-35)32-9-5-6-10-34(32)33/h3-13,15-16,22-25,30,35H,14,17-21H2,1-2H3/b12-11-,35-22+
InChIKeyDVYOVDXGLVWZSH-OOJQLMCSSA-N
XLogP5.58
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.68
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(Z)-5-(2,3-dihydronaphthalen-2-yl)hex-3-en-2-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]ethanimine?
The IUPAC name of 2-[4-[4-[(Z)-5-(2,3-dihydronaphthalen-2-yl)hex-3-en-2-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]ethanimine (CID 88530027) is 2-[4-[4-[(Z)-5-(2,3-dihydronaphthalen-2-yl)hex-3-en-2-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]ethanimine.
What is the SMILES notation for 2-[4-[4-[(Z)-5-(2,3-dihydronaphthalen-2-yl)hex-3-en-2-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]ethanimine?
The canonical SMILES for 2-[4-[4-[(Z)-5-(2,3-dihydronaphthalen-2-yl)hex-3-en-2-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]ethanimine is [H]/N=C/CC1=c2ccccc2=C(C2=CC=C(C(C)/C=C\C(C)C3C=c4ccccc4=CC3)CC2)CC1.
What is the InChIKey of 2-[4-[4-[(Z)-5-(2,3-dihydronaphthalen-2-yl)hex-3-en-2-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]ethanimine?
The InChIKey is DVYOVDXGLVWZSH-OOJQLMCSSA-N. The full InChI is InChI=1S/C34H37N/c1-24(11-12-25(2)30-18-15-27-7-3-4-8-31(27)23-30)26-13-16-28(17-14-26)33-20-19-29(21-22-35)32-9-5-6-10-34(32)33/h3-13,15-16,22-25,30,35H,14,17-21H2,1-2H3/b12-11-,35-22+.
What are the key properties of 2-[4-[4-[(Z)-5-(2,3-dihydronaphthalen-2-yl)hex-3-en-2-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]ethanimine?
2-[4-[4-[(Z)-5-(2,3-dihydronaphthalen-2-yl)hex-3-en-2-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]ethanimine has a molecular weight of 459.68 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(Z)-5-(2,3-dihydronaphthalen-2-yl)hex-3-en-2-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]ethanimine is sourced from PubChem (CID 88530027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).