N'-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-N-(1-phenylethylidene)-6-propan-2-yl-9H-fluorene-1-carboximidamide

C34H34N2 — CID 156706370

IUPACN'-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-N-(1-phenylethylidene)-6-propan-2-yl-9H-fluorene-1-carboximidamide
SMILESC=C/C(=C\C=C/C)C(=C)/N=C(\N=C(/C)c1ccccc1)c1cccc2c1Cc1ccc(C(C)C)cc1-2
InChIInChI=1S/C34H34N2/c1-7-9-14-26(8-2)24(5)35-34(36-25(6)27-15-11-10-12-16-27)31-18-13-17-30-32-21-28(23(3)4)19-20-29(32)22-33(30)31/h7-21,23H,2,5,22H2,1,3-4,6H3/b9-7-,26-14+,35-34+,36-25+
InChIKeyBCUHSYQDQRBAIH-ZJQGJIPOSA-N
MW470.66 g/mol
LogP8.84
Rot. Bonds7

About N'-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-N-(1-phenylethylidene)-6-propan-2-yl-9H-fluorene-1-carboximidamide

N'-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-N-(1-phenylethylidene)-6-propan-2-yl-9H-fluorene-1-carboximidamide (PubChem CID 156706370) has the molecular formula C34H34N2 and a molecular weight of 470.66 g/mol. Its IUPAC name is N'-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-N-(1-phenylethylidene)-6-propan-2-yl-9H-fluorene-1-carboximidamide.

Molecular Properties

Compound NameN'-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-N-(1-phenylethylidene)-6-propan-2-yl-9H-fluorene-1-carboximidamide
PubChem CID156706370
Molecular FormulaC34H34N2
Molecular Weight470.66 g/mol
Exact Mass470.27
IUPAC NameN'-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-N-(1-phenylethylidene)-6-propan-2-yl-9H-fluorene-1-carboximidamide
SMILESC=C/C(=C\C=C/C)C(=C)/N=C(\N=C(/C)c1ccccc1)c1cccc2c1Cc1ccc(C(C)C)cc1-2
InChIInChI=1S/C34H34N2/c1-7-9-14-26(8-2)24(5)35-34(36-25(6)27-15-11-10-12-16-27)31-18-13-17-30-32-21-28(23(3)4)19-20-29(32)22-33(30)31/h7-21,23H,2,5,22H2,1,3-4,6H3/b9-7-,26-14+,35-34+,36-25+
InChIKeyBCUHSYQDQRBAIH-ZJQGJIPOSA-N
XLogP8.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1-phenylethylideneamino) (2E,4Z)-2-ethenylhexa-2,4-dienoate
CID 138565048
(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine
CID 129227645
1-(1-phenylethenyl)-9H-fluorene
CID 151698887
N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-1-[1-[1-[3-(17-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaenyl)phenyl]ethylidene]-1λ5-phosphol-1-yl]ethanimine
CID 145340351
(1Z,3E,5Z)-3-ethenyl-1-phenylhepta-1,3,5-triene-1,2-dithiol
CID 145408406
N-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-2-yl]-1-phenylethanimine
CID 144989648
(E)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-3-(10-methylanthracen-9-yl)-1-phenanthren-9-ylbut-2-en-1-imine
CID 144969105
N-(9H-fluoren-1-yl)-1-phenylethanimine
CID 143688268
N'-[1-[8-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 144955838
CID 177024832
CID 177024832
[(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene
CID 142235568
1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene
CID 168937681

Frequently Asked Questions

What is the IUPAC name of N'-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-N-(1-phenylethylidene)-6-propan-2-yl-9H-fluorene-1-carboximidamide?
The IUPAC name of N'-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-N-(1-phenylethylidene)-6-propan-2-yl-9H-fluorene-1-carboximidamide (CID 156706370) is N'-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-N-(1-phenylethylidene)-6-propan-2-yl-9H-fluorene-1-carboximidamide.
What is the SMILES notation for N'-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-N-(1-phenylethylidene)-6-propan-2-yl-9H-fluorene-1-carboximidamide?
The canonical SMILES for N'-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-N-(1-phenylethylidene)-6-propan-2-yl-9H-fluorene-1-carboximidamide is C=C/C(=C\C=C/C)C(=C)/N=C(\N=C(/C)c1ccccc1)c1cccc2c1Cc1ccc(C(C)C)cc1-2.
What is the InChIKey of N'-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-N-(1-phenylethylidene)-6-propan-2-yl-9H-fluorene-1-carboximidamide?
The InChIKey is BCUHSYQDQRBAIH-ZJQGJIPOSA-N. The full InChI is InChI=1S/C34H34N2/c1-7-9-14-26(8-2)24(5)35-34(36-25(6)27-15-11-10-12-16-27)31-18-13-17-30-32-21-28(23(3)4)19-20-29(32)22-33(30)31/h7-21,23H,2,5,22H2,1,3-4,6H3/b9-7-,26-14+,35-34+,36-25+.
What are the key properties of N'-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-N-(1-phenylethylidene)-6-propan-2-yl-9H-fluorene-1-carboximidamide?
N'-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-N-(1-phenylethylidene)-6-propan-2-yl-9H-fluorene-1-carboximidamide has a molecular weight of 470.66 g/mol, XLogP of 8.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-N-(1-phenylethylidene)-6-propan-2-yl-9H-fluorene-1-carboximidamide is sourced from PubChem (CID 156706370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).