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

C59H44N2 — CID 176835001

IUPACN'-[(Z)-1-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-3-naphthalen-1-ylprop-1-enyl]benzenecarboximidamide
SMILESCC1(C)c2ccc(-c3ccc(-c4ccc(C(=C/Cc5cccc6ccccc56)/N=C(\N)c5ccccc5)c5ccccc45)c4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C59H44N2/c1-59(2)55-33-27-43(36-53(55)54-35-41-18-6-7-19-42(41)37-56(54)59)45-29-30-50(47-24-11-10-23-46(45)47)51-31-32-52(49-26-13-12-25-48(49)51)57(61-58(60)40-16-4-3-5-17-40)34-28-39-21-14-20-38-15-8-9-22-44(38)39/h3-27,29-37H,28H2,1-2H3,(H2,60,61)/b57-34-
InChIKeyCJSSNZJNLXKNPW-ZAKVVVSSSA-N
MW781.02 g/mol
LogP14.93
Rot. Bonds7

About 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

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 (PubChem CID 176835001) has the molecular formula C59H44N2 and a molecular weight of 781.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN'-[(Z)-1-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-3-naphthalen-1-ylprop-1-enyl]benzenecarboximidamide
PubChem CID176835001
Molecular FormulaC59H44N2
Molecular Weight781.02 g/mol
Exact Mass780.35
IUPAC NameN'-[(Z)-1-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-3-naphthalen-1-ylprop-1-enyl]benzenecarboximidamide
SMILESCC1(C)c2ccc(-c3ccc(-c4ccc(C(=C/Cc5cccc6ccccc56)/N=C(\N)c5ccccc5)c5ccccc45)c4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C59H44N2/c1-59(2)55-33-27-43(36-53(55)54-35-41-18-6-7-19-42(41)37-56(54)59)45-29-30-50(47-24-11-10-23-46(45)47)51-31-32-52(49-26-13-12-25-48(49)51)57(61-58(60)40-16-4-3-5-17-40)34-28-39-21-14-20-38-15-8-9-22-44(38)39/h3-27,29-37H,28H2,1-2H3,(H2,60,61)/b57-34-
InChIKeyCJSSNZJNLXKNPW-ZAKVVVSSSA-N
XLogP14.93
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.02
LogP ≤ 514.93
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-(4-phenylphenyl)prop-1-enyl]-4-phenylbenzenecarboximidamide
CID 176834722
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-(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-(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-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-3-phenylprop-1-enyl]naphthalene-1-carboximidamide
CID 176834901
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-[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)-3-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-1-phenylprop-1-enyl]benzenecarboximidamide
CID 145452719
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 168779616
11,11-dimethyl-3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene
CID 140724986
4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]-6-(3-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168777122
3-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-11,11-dimethylbenzo[b]fluorene
CID 159143785

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccc(-c3ccc(-c4ccc(C(=C/Cc5cccc6ccccc56)/N=C(\N)c5ccccc5)c5ccccc45)c4ccccc34)cc2-c2cc3ccccc3cc21.
What is the InChIKey of 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?
The InChIKey is CJSSNZJNLXKNPW-ZAKVVVSSSA-N. The full InChI is InChI=1S/C59H44N2/c1-59(2)55-33-27-43(36-53(55)54-35-41-18-6-7-19-42(41)37-56(54)59)45-29-30-50(47-24-11-10-23-46(45)47)51-31-32-52(49-26-13-12-25-48(49)51)57(61-58(60)40-16-4-3-5-17-40)34-28-39-21-14-20-38-15-8-9-22-44(38)39/h3-27,29-37H,28H2,1-2H3,(H2,60,61)/b57-34-.
What are the key properties of 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?
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 has a molecular weight of 781.02 g/mol, XLogP of 14.93, 7 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-(11,11-dimethylbenzo[b]fluoren-3-yl)naphthalen-1-yl]naphthalen-1-yl]-3-naphthalen-1-ylprop-1-enyl]benzenecarboximidamide is sourced from PubChem (CID 176835001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).