(3E)-4-(9H-fluoren-2-yl)hepta-3,5-dien-2-imine

C20H19N — CID 123980064

IUPAC(3E)-4-(9H-fluoren-2-yl)hepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C(\C=CC)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H19N/c1-3-6-15(11-14(2)21)16-9-10-20-18(12-16)13-17-7-4-5-8-19(17)20/h3-12,21H,13H2,1-2H3/b6-3?,15-11+,21-14+
InChIKeyZZCDJYUKACDWIU-QNLNIBJNSA-N
MW273.38 g/mol
LogP5.26
Rot. Bonds3

About (3E)-4-(9H-fluoren-2-yl)hepta-3,5-dien-2-imine

(3E)-4-(9H-fluoren-2-yl)hepta-3,5-dien-2-imine (PubChem CID 123980064) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is (3E)-4-(9H-fluoren-2-yl)hepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E)-4-(9H-fluoren-2-yl)hepta-3,5-dien-2-imine
PubChem CID123980064
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name(3E)-4-(9H-fluoren-2-yl)hepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C(\C=CC)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H19N/c1-3-6-15(11-14(2)21)16-9-10-20-18(12-16)13-17-7-4-5-8-19(17)20/h3-12,21H,13H2,1-2H3/b6-3?,15-11+,21-14+
InChIKeyZZCDJYUKACDWIU-QNLNIBJNSA-N
XLogP5.26
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(9H-fluoren-2-yl)prop-1-en-1-ol
CID 141066359
9H-fluorene-3-carboximidamide
CID 142615389
3-[(Z)-prop-1-enyl]-9H-fluorene
CID 173081579
[(E)-1-(9H-fluoren-2-yl)ethylideneamino] naphthalene-2-carboximidate
CID 172922973
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
9H-fluorene-2-carboxamide;hydrochloride
CID 21224790
[3-(9H-fluorene-2-carbonyl)phenyl]-(9H-fluoren-2-yl)methanone
CID 10552019
2-[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-1,2-bis(9H-fluoren-2-yl)ethylidene]-4,5-dimethyl-1,3-dithiole
CID 101055689
ethane;9H-fluoren-2-amine
CID 142950354
ethane;9H-fluoren-2-ol
CID 91146688
(Z)-1-(9H-fluoren-2-yl)-N-morpholin-4-ylethanimine
CID 167952207
(2E)-1-(9H-fluoren-2-yl)-2-hydrazinylideneethanone
CID 43835389

Frequently Asked Questions

What is the IUPAC name of (3E)-4-(9H-fluoren-2-yl)hepta-3,5-dien-2-imine?
The IUPAC name of (3E)-4-(9H-fluoren-2-yl)hepta-3,5-dien-2-imine (CID 123980064) is (3E)-4-(9H-fluoren-2-yl)hepta-3,5-dien-2-imine.
What is the SMILES notation for (3E)-4-(9H-fluoren-2-yl)hepta-3,5-dien-2-imine?
The canonical SMILES for (3E)-4-(9H-fluoren-2-yl)hepta-3,5-dien-2-imine is [H]/N=C(C)/C=C(\C=CC)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of (3E)-4-(9H-fluoren-2-yl)hepta-3,5-dien-2-imine?
The InChIKey is ZZCDJYUKACDWIU-QNLNIBJNSA-N. The full InChI is InChI=1S/C20H19N/c1-3-6-15(11-14(2)21)16-9-10-20-18(12-16)13-17-7-4-5-8-19(17)20/h3-12,21H,13H2,1-2H3/b6-3?,15-11+,21-14+.
What are the key properties of (3E)-4-(9H-fluoren-2-yl)hepta-3,5-dien-2-imine?
(3E)-4-(9H-fluoren-2-yl)hepta-3,5-dien-2-imine has a molecular weight of 273.38 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-(9H-fluoren-2-yl)hepta-3,5-dien-2-imine is sourced from PubChem (CID 123980064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).