N'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide

C49H38N2 — CID 176834901

IUPACN'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide
SMILESCC1(C)c2cc(-c3ccc(C(=C/Cc4ccccc4)/N=C(\N)c4cccc5ccccc45)c4ccccc34)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C49H38N2/c1-49(2)45-31-35(25-26-41(45)43-27-24-34-16-7-9-19-38(34)47(43)49)37-28-29-42(40-21-11-10-20-39(37)40)46(30-23-32-13-4-3-5-14-32)51-48(50)44-22-12-17-33-15-6-8-18-36(33)44/h3-22,24-31H,23H2,1-2H3,(H2,50,51)/b46-30-
InChIKeyPKZASVYXLUQVKP-FERAKHQFSA-N
MW654.86 g/mol
LogP12.11
Rot. Bonds6

About N'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide

N'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide (PubChem CID 176834901) has the molecular formula C49H38N2 and a molecular weight of 654.86 g/mol. Its IUPAC name is N'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide.

Molecular Properties

Compound NameN'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide
PubChem CID176834901
Molecular FormulaC49H38N2
Molecular Weight654.86 g/mol
Exact Mass654.30
IUPAC NameN'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide
SMILESCC1(C)c2cc(-c3ccc(C(=C/Cc4ccccc4)/N=C(\N)c4cccc5ccccc45)c4ccccc34)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C49H38N2/c1-49(2)45-31-35(25-26-41(45)43-27-24-34-16-7-9-19-38(34)47(43)49)37-28-29-42(40-21-11-10-20-39(37)40)46(30-23-32-13-4-3-5-14-32)51-48(50)44-22-12-17-33-15-6-8-18-36(33)44/h3-22,24-31H,23H2,1-2H3,(H2,50,51)/b46-30-
InChIKeyPKZASVYXLUQVKP-FERAKHQFSA-N
XLogP12.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.86
LogP ≤ 512.11
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-(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-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]naphthalen-1-yl]-3-(3-phenylphenyl)prop-1-enyl]benzenecarboximidamide
CID 176835217
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
2-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168779094
11,11-dimethyl-9-naphthalen-2-ylbenzo[a]fluorene
CID 144938907
N'-[(Z)-3-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-1-phenylprop-1-enyl]benzenecarboximidamide
CID 145452719
4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 168779418
4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168776957
1,9,9-trimethyl-7-naphthalen-1-ylfluorene
CID 156896552

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide?
The IUPAC name of N'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide (CID 176834901) is N'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide.
What is the SMILES notation for N'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide?
The canonical SMILES for N'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide is CC1(C)c2cc(-c3ccc(C(=C/Cc4ccccc4)/N=C(\N)c4cccc5ccccc45)c4ccccc34)ccc2-c2ccc3ccccc3c21.
What is the InChIKey of N'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide?
The InChIKey is PKZASVYXLUQVKP-FERAKHQFSA-N. The full InChI is InChI=1S/C49H38N2/c1-49(2)45-31-35(25-26-41(45)43-27-24-34-16-7-9-19-38(34)47(43)49)37-28-29-42(40-21-11-10-20-39(37)40)46(30-23-32-13-4-3-5-14-32)51-48(50)44-22-12-17-33-15-6-8-18-36(33)44/h3-22,24-31H,23H2,1-2H3,(H2,50,51)/b46-30-.
What are the key properties of N'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide?
N'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide has a molecular weight of 654.86 g/mol, XLogP of 12.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide is sourced from PubChem (CID 176834901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).