ethane;N'-[(Z)-3-phenyl-1-(7,9,9-trimethylfluoren-2-yl)prop-1-enyl]benzenecarboximidamide

C34H36N2 — CID 145284425

IUPACethane;N'-[(Z)-3-phenyl-1-(7,9,9-trimethylfluoren-2-yl)prop-1-enyl]benzenecarboximidamide
SMILESCC.Cc1ccc2c(c1)C(C)(C)c1cc(C(=C/Cc3ccccc3)/N=C(\N)c3ccccc3)ccc1-2
InChIInChI=1S/C32H30N2.C2H6/c1-22-14-17-26-27-18-16-25(21-29(27)32(2,3)28(26)20-22)30(19-15-23-10-6-4-7-11-23)34-31(33)24-12-8-5-9-13-24;1-2/h4-14,16-21H,15H2,1-3H3,(H2,33,34);1-2H3/b30-19-;
InChIKeyKZYGZMNNLNNZER-KBRSZIRKSA-N
MW472.68 g/mol
LogP8.32
Rot. Bonds5

About ethane;N'-[(Z)-3-phenyl-1-(7,9,9-trimethylfluoren-2-yl)prop-1-enyl]benzenecarboximidamide

ethane;N'-[(Z)-3-phenyl-1-(7,9,9-trimethylfluoren-2-yl)prop-1-enyl]benzenecarboximidamide (PubChem CID 145284425) has the molecular formula C34H36N2 and a molecular weight of 472.68 g/mol. Its IUPAC name is ethane;N'-[(Z)-3-phenyl-1-(7,9,9-trimethylfluoren-2-yl)prop-1-enyl]benzenecarboximidamide.

Molecular Properties

Compound Nameethane;N'-[(Z)-3-phenyl-1-(7,9,9-trimethylfluoren-2-yl)prop-1-enyl]benzenecarboximidamide
PubChem CID145284425
Molecular FormulaC34H36N2
Molecular Weight472.68 g/mol
Exact Mass472.29
IUPAC Nameethane;N'-[(Z)-3-phenyl-1-(7,9,9-trimethylfluoren-2-yl)prop-1-enyl]benzenecarboximidamide
SMILESCC.Cc1ccc2c(c1)C(C)(C)c1cc(C(=C/Cc3ccccc3)/N=C(\N)c3ccccc3)ccc1-2
InChIInChI=1S/C32H30N2.C2H6/c1-22-14-17-26-27-18-16-25(21-29(27)32(2,3)28(26)20-22)30(19-15-23-10-6-4-7-11-23)34-31(33)24-12-8-5-9-13-24;1-2/h4-14,16-21H,15H2,1-3H3,(H2,33,34);1-2H3/b30-19-;
InChIKeyKZYGZMNNLNNZER-KBRSZIRKSA-N
XLogP8.32
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.68
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-3-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-1-phenylprop-1-enyl]benzenecarboximidamide
CID 145452719
N'-[(Z)-1-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(4-phenylphenyl)prop-1-enyl]-4-phenylbenzenecarboximidamide
CID 176834722
N'-[(Z)-1-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-3-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)prop-1-enyl]benzenecarboximidamide
CID 174310490
N'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide
CID 176834901
N'-[(Z)-1-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]benzenecarboximidamide
CID 176835217
2,7,9,9-tetramethylfluorene
CID 22951928
N'-[(Z)-1-phenylbut-1-enyl]benzenecarboximidamide
CID 145334764
N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide
CID 143099604
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene
CID 145110773
N'-[(Z)-1-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-3-naphthalen-1-ylprop-1-enyl]benzenecarboximidamide
CID 176835001
N'-[(Z)-1-[4-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]naphthalen-1-yl]-3-phenylprop-1-enyl]benzenecarboximidamide
CID 176835262

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(Z)-3-phenyl-1-(7,9,9-trimethylfluoren-2-yl)prop-1-enyl]benzenecarboximidamide?
The IUPAC name of ethane;N'-[(Z)-3-phenyl-1-(7,9,9-trimethylfluoren-2-yl)prop-1-enyl]benzenecarboximidamide (CID 145284425) is ethane;N'-[(Z)-3-phenyl-1-(7,9,9-trimethylfluoren-2-yl)prop-1-enyl]benzenecarboximidamide.
What is the SMILES notation for ethane;N'-[(Z)-3-phenyl-1-(7,9,9-trimethylfluoren-2-yl)prop-1-enyl]benzenecarboximidamide?
The canonical SMILES for ethane;N'-[(Z)-3-phenyl-1-(7,9,9-trimethylfluoren-2-yl)prop-1-enyl]benzenecarboximidamide is CC.Cc1ccc2c(c1)C(C)(C)c1cc(C(=C/Cc3ccccc3)/N=C(\N)c3ccccc3)ccc1-2.
What is the InChIKey of ethane;N'-[(Z)-3-phenyl-1-(7,9,9-trimethylfluoren-2-yl)prop-1-enyl]benzenecarboximidamide?
The InChIKey is KZYGZMNNLNNZER-KBRSZIRKSA-N. The full InChI is InChI=1S/C32H30N2.C2H6/c1-22-14-17-26-27-18-16-25(21-29(27)32(2,3)28(26)20-22)30(19-15-23-10-6-4-7-11-23)34-31(33)24-12-8-5-9-13-24;1-2/h4-14,16-21H,15H2,1-3H3,(H2,33,34);1-2H3/b30-19-;.
What are the key properties of ethane;N'-[(Z)-3-phenyl-1-(7,9,9-trimethylfluoren-2-yl)prop-1-enyl]benzenecarboximidamide?
ethane;N'-[(Z)-3-phenyl-1-(7,9,9-trimethylfluoren-2-yl)prop-1-enyl]benzenecarboximidamide has a molecular weight of 472.68 g/mol, XLogP of 8.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(Z)-3-phenyl-1-(7,9,9-trimethylfluoren-2-yl)prop-1-enyl]benzenecarboximidamide is sourced from PubChem (CID 145284425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).