(Z)-N'-[1-[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-5-yl]propyl]-1,2-bis(4-fluorophenyl)ethene-1,2-diamine

C31H30F2N2 — CID 89358743

IUPAC(Z)-N'-[1-[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-5-yl]propyl]-1,2-bis(4-fluorophenyl)ethene-1,2-diamine
SMILESC=CC1=C(/C=C\C)c2cc(C(CC)N/C(=C(\N)c3ccc(F)cc3)c3ccc(F)cc3)ccc2C1
InChIInChI=1S/C31H30F2N2/c1-4-7-27-20(5-2)18-23-8-9-24(19-28(23)27)29(6-3)35-31(22-12-16-26(33)17-13-22)30(34)21-10-14-25(32)15-11-21/h4-5,7-17,19,29,35H,2,6,18,34H2,1,3H3/b7-4-,31-30-
InChIKeyVYYORIRMEOBHHJ-HRKBCGHVSA-N
MW468.59 g/mol
LogP7.56
Rot. Bonds8

About (Z)-N'-[1-[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-5-yl]propyl]-1,2-bis(4-fluorophenyl)ethene-1,2-diamine

(Z)-N'-[1-[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-5-yl]propyl]-1,2-bis(4-fluorophenyl)ethene-1,2-diamine (PubChem CID 89358743) has the molecular formula C31H30F2N2 and a molecular weight of 468.59 g/mol. Its IUPAC name is (Z)-N'-[1-[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-5-yl]propyl]-1,2-bis(4-fluorophenyl)ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N'-[1-[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-5-yl]propyl]-1,2-bis(4-fluorophenyl)ethene-1,2-diamine
PubChem CID89358743
Molecular FormulaC31H30F2N2
Molecular Weight468.59 g/mol
Exact Mass468.24
IUPAC Name(Z)-N'-[1-[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-5-yl]propyl]-1,2-bis(4-fluorophenyl)ethene-1,2-diamine
SMILESC=CC1=C(/C=C\C)c2cc(C(CC)N/C(=C(\N)c3ccc(F)cc3)c3ccc(F)cc3)ccc2C1
InChIInChI=1S/C31H30F2N2/c1-4-7-27-20(5-2)18-23-8-9-24(19-28(23)27)29(6-3)35-31(22-12-16-26(33)17-13-22)30(34)21-10-14-25(32)15-11-21/h4-5,7-17,19,29,35H,2,6,18,34H2,1,3H3/b7-4-,31-30-
InChIKeyVYYORIRMEOBHHJ-HRKBCGHVSA-N
XLogP7.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.59
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[1-[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-5-yl]propyl]-1,2-bis(4-fluorophenyl)ethene-1,2-diamine?
The IUPAC name of (Z)-N'-[1-[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-5-yl]propyl]-1,2-bis(4-fluorophenyl)ethene-1,2-diamine (CID 89358743) is (Z)-N'-[1-[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-5-yl]propyl]-1,2-bis(4-fluorophenyl)ethene-1,2-diamine.
What is the SMILES notation for (Z)-N'-[1-[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-5-yl]propyl]-1,2-bis(4-fluorophenyl)ethene-1,2-diamine?
The canonical SMILES for (Z)-N'-[1-[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-5-yl]propyl]-1,2-bis(4-fluorophenyl)ethene-1,2-diamine is C=CC1=C(/C=C\C)c2cc(C(CC)N/C(=C(\N)c3ccc(F)cc3)c3ccc(F)cc3)ccc2C1.
What is the InChIKey of (Z)-N'-[1-[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-5-yl]propyl]-1,2-bis(4-fluorophenyl)ethene-1,2-diamine?
The InChIKey is VYYORIRMEOBHHJ-HRKBCGHVSA-N. The full InChI is InChI=1S/C31H30F2N2/c1-4-7-27-20(5-2)18-23-8-9-24(19-28(23)27)29(6-3)35-31(22-12-16-26(33)17-13-22)30(34)21-10-14-25(32)15-11-21/h4-5,7-17,19,29,35H,2,6,18,34H2,1,3H3/b7-4-,31-30-.
What are the key properties of (Z)-N'-[1-[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-5-yl]propyl]-1,2-bis(4-fluorophenyl)ethene-1,2-diamine?
(Z)-N'-[1-[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-5-yl]propyl]-1,2-bis(4-fluorophenyl)ethene-1,2-diamine has a molecular weight of 468.59 g/mol, XLogP of 7.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[1-[2-ethenyl-3-[(Z)-prop-1-enyl]-1H-inden-5-yl]propyl]-1,2-bis(4-fluorophenyl)ethene-1,2-diamine is sourced from PubChem (CID 89358743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).