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

C61H46N2 — CID 176835217

IUPACN'-[(Z)-1-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]benzenecarboximidamide
SMILESCC1(C)c2ccc(-c3ccc(-c4ccc(C(=C/Cc5cccc(-c6ccccc6)c5)/N=C(\N)c5ccccc5)c5ccccc45)c4ccccc34)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C61H46N2/c1-61(2)56-35-30-45(39-55(56)59-47-23-10-9-19-42(47)29-36-57(59)61)46-31-32-52(49-25-12-11-24-48(46)49)53-33-34-54(51-27-14-13-26-50(51)53)58(63-60(62)43-20-7-4-8-21-43)37-28-40-16-15-22-44(38-40)41-17-5-3-6-18-41/h3-27,29-39H,28H2,1-2H3,(H2,62,63)/b58-37-
InChIKeyJUNFBAXLZKYTDA-ZUBUPDERSA-N
MW807.05 g/mol
LogP15.44
Rot. Bonds8

About 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

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 (PubChem CID 176835217) has the molecular formula C61H46N2 and a molecular weight of 807.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN'-[(Z)-1-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]benzenecarboximidamide
PubChem CID176835217
Molecular FormulaC61H46N2
Molecular Weight807.05 g/mol
Exact Mass806.37
IUPAC NameN'-[(Z)-1-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]benzenecarboximidamide
SMILESCC1(C)c2ccc(-c3ccc(-c4ccc(C(=C/Cc5cccc(-c6ccccc6)c5)/N=C(\N)c5ccccc5)c5ccccc45)c4ccccc34)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C61H46N2/c1-61(2)56-35-30-45(39-55(56)59-47-23-10-9-19-42(47)29-36-57(59)61)46-31-32-52(49-25-12-11-24-48(46)49)53-33-34-54(51-27-14-13-26-50(51)53)58(63-60(62)43-20-7-4-8-21-43)37-28-40-16-15-22-44(38-40)41-17-5-3-6-18-41/h3-27,29-39H,28H2,1-2H3,(H2,62,63)/b58-37-
InChIKeyJUNFBAXLZKYTDA-ZUBUPDERSA-N
XLogP15.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.05
LogP ≤ 515.44
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)-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-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide
CID 176834989
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-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-3-(2-phenylphenyl)prop-1-enyl]naphthalene-1-carboximidamide
CID 176835112
N'-[(Z)-1-[4-[3-(11,11-diphenylbenzo[a]fluoren-9-yl)phenyl]naphthalen-1-yl]-3-phenylprop-1-enyl]benzenecarboximidamide
CID 176835262
N'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide
CID 176834901
(Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-3-naphthalen-1-yl-1-phenylprop-2-ene-1,3-diimine
CID 176834983
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
(Z)-N'-[[4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1,3-diphenylprop-2-ene-1,3-diimine
CID 176835191
N'-[(Z)-3-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-1-phenylprop-1-enyl]benzenecarboximidamide
CID 145452719
4-[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168777302
7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene
CID 162108873

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccc(-c3ccc(-c4ccc(C(=C/Cc5cccc(-c6ccccc6)c5)/N=C(\N)c5ccccc5)c5ccccc45)c4ccccc34)cc2-c2c1ccc1ccccc21.
What is the InChIKey of 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?
The InChIKey is JUNFBAXLZKYTDA-ZUBUPDERSA-N. The full InChI is InChI=1S/C61H46N2/c1-61(2)56-35-30-45(39-55(56)59-47-23-10-9-19-42(47)29-36-57(59)61)46-31-32-52(49-25-12-11-24-48(46)49)53-33-34-54(51-27-14-13-26-50(51)53)58(63-60(62)43-20-7-4-8-21-43)37-28-40-16-15-22-44(38-40)41-17-5-3-6-18-41/h3-27,29-39H,28H2,1-2H3,(H2,62,63)/b58-37-.
What are the key properties of 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?
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 has a molecular weight of 807.05 g/mol, XLogP of 15.44, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176835217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).