N-[(Z,2E)-2-ethylidene-1-(methylideneamino)pent-3-enylidene]-N'-[[9-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)benzo[c]carbazol-7-yl]methyl]benzenecarboximidamide

C56H43N5 — CID 142384919

IUPACN-[(Z,2E)-2-ethylidene-1-(methylideneamino)pent-3-enylidene]-N'-[[9-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)benzo[c]carbazol-7-yl]methyl]benzenecarboximidamide
SMILESC=NC(=N/C(=N\Cn1c2cc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccncc3)ccc2c2c3ccccc3ccc21)c1ccccc1)C(/C=C\C)=C/C
InChIInChI=1S/C56H43N5/c1-4-17-38(5-2)54(57-3)60-55(40-19-8-6-9-20-40)59-37-61-50-31-29-39-18-12-13-23-44(39)53(50)47-30-28-41(36-51(47)61)45-25-16-27-49-52(45)46-24-14-15-26-48(46)56(49,42-21-10-7-11-22-42)43-32-34-58-35-33-43/h4-36H,3,37H2,1-2H3/b17-4-,38-5+,59-55-,60-54-
InChIKeyDHLZHHUUJVVMKY-HNUKZFQYSA-N
MW786.00 g/mol
LogP13.40
Rot. Bonds8

About N-[(Z,2E)-2-ethylidene-1-(methylideneamino)pent-3-enylidene]-N'-[[9-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)benzo[c]carbazol-7-yl]methyl]benzenecarboximidamide

N-[(Z,2E)-2-ethylidene-1-(methylideneamino)pent-3-enylidene]-N'-[[9-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)benzo[c]carbazol-7-yl]methyl]benzenecarboximidamide (PubChem CID 142384919) has the molecular formula C56H43N5 and a molecular weight of 786.00 g/mol. Its IUPAC name is N-[(Z,2E)-2-ethylidene-1-(methylideneamino)pent-3-enylidene]-N'-[[9-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)benzo[c]carbazol-7-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN-[(Z,2E)-2-ethylidene-1-(methylideneamino)pent-3-enylidene]-N'-[[9-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)benzo[c]carbazol-7-yl]methyl]benzenecarboximidamide
PubChem CID142384919
Molecular FormulaC56H43N5
Molecular Weight786.00 g/mol
Exact Mass785.35
IUPAC NameN-[(Z,2E)-2-ethylidene-1-(methylideneamino)pent-3-enylidene]-N'-[[9-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)benzo[c]carbazol-7-yl]methyl]benzenecarboximidamide
SMILESC=NC(=N/C(=N\Cn1c2cc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccncc3)ccc2c2c3ccccc3ccc21)c1ccccc1)C(/C=C\C)=C/C
InChIInChI=1S/C56H43N5/c1-4-17-38(5-2)54(57-3)60-55(40-19-8-6-9-20-40)59-37-61-50-31-29-39-18-12-13-23-44(39)53(50)47-30-28-41(36-51(47)61)45-25-16-27-49-52(45)46-24-14-15-26-48(46)56(49,42-21-10-7-11-22-42)43-32-34-58-35-33-43/h4-36H,3,37H2,1-2H3/b17-4-,38-5+,59-55-,60-54-
InChIKeyDHLZHHUUJVVMKY-HNUKZFQYSA-N
XLogP13.40
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.00
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene
CID 144924595
2-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-4-naphthalen-2-yl-6-phenanthren-2-yl-1,3,5-triazine
CID 162196091
4-(4-dibenzofuran-2-yl-9-phenylfluoren-9-yl)pyridine
CID 135173145
2-[4-[(1Z)-buta-1,3-dienyl]-3-methylphenyl]-4-[7-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-6-phenanthren-2-yl-1,3,5-triazine
CID 167077104
2-[3-(9,9-diphenylfluoren-4-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 146649016
N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide
CID 138642968
2-dibenzothiophen-3-yl-4-(9,9-diphenylfluoren-4-yl)-6-phenanthren-4-yl-1,3,5-triazine
CID 169278720
6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9-diphenylfluoren-4-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole
CID 155333720
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
CID 168777945
15-[4-(9,9-diphenylfluoren-4-yl)phenyl]-28-thia-3,14-diazaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene
CID 156514775
9-(4-chlorophenyl)-4-naphthalen-2-yl-9-phenylfluorene
CID 176760045
9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158497091

Frequently Asked Questions

What is the IUPAC name of N-[(Z,2E)-2-ethylidene-1-(methylideneamino)pent-3-enylidene]-N'-[[9-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)benzo[c]carbazol-7-yl]methyl]benzenecarboximidamide?
The IUPAC name of N-[(Z,2E)-2-ethylidene-1-(methylideneamino)pent-3-enylidene]-N'-[[9-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)benzo[c]carbazol-7-yl]methyl]benzenecarboximidamide (CID 142384919) is N-[(Z,2E)-2-ethylidene-1-(methylideneamino)pent-3-enylidene]-N'-[[9-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)benzo[c]carbazol-7-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for N-[(Z,2E)-2-ethylidene-1-(methylideneamino)pent-3-enylidene]-N'-[[9-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)benzo[c]carbazol-7-yl]methyl]benzenecarboximidamide?
The canonical SMILES for N-[(Z,2E)-2-ethylidene-1-(methylideneamino)pent-3-enylidene]-N'-[[9-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)benzo[c]carbazol-7-yl]methyl]benzenecarboximidamide is C=NC(=N/C(=N\Cn1c2cc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccncc3)ccc2c2c3ccccc3ccc21)c1ccccc1)C(/C=C\C)=C/C.
What is the InChIKey of N-[(Z,2E)-2-ethylidene-1-(methylideneamino)pent-3-enylidene]-N'-[[9-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)benzo[c]carbazol-7-yl]methyl]benzenecarboximidamide?
The InChIKey is DHLZHHUUJVVMKY-HNUKZFQYSA-N. The full InChI is InChI=1S/C56H43N5/c1-4-17-38(5-2)54(57-3)60-55(40-19-8-6-9-20-40)59-37-61-50-31-29-39-18-12-13-23-44(39)53(50)47-30-28-41(36-51(47)61)45-25-16-27-49-52(45)46-24-14-15-26-48(46)56(49,42-21-10-7-11-22-42)43-32-34-58-35-33-43/h4-36H,3,37H2,1-2H3/b17-4-,38-5+,59-55-,60-54-.
What are the key properties of N-[(Z,2E)-2-ethylidene-1-(methylideneamino)pent-3-enylidene]-N'-[[9-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)benzo[c]carbazol-7-yl]methyl]benzenecarboximidamide?
N-[(Z,2E)-2-ethylidene-1-(methylideneamino)pent-3-enylidene]-N'-[[9-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)benzo[c]carbazol-7-yl]methyl]benzenecarboximidamide has a molecular weight of 786.00 g/mol, XLogP of 13.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2E)-2-ethylidene-1-(methylideneamino)pent-3-enylidene]-N'-[[9-(9-phenyl-9-pyridin-4-ylfluoren-4-yl)benzo[c]carbazol-7-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 142384919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).