(Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(9,9-diphenylfluoren-2-yl)-1-phenylprop-2-ene-1,3-diimine

C64H46N2 — CID 176834811

IUPAC(Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(9,9-diphenylfluoren-2-yl)-1-phenylprop-2-ene-1,3-diimine
SMILES[H]/N=C(/C=C(\N=C\c1ccc(-c2cccc3c2C(C)(C)c2c-3ccc3ccccc23)c2ccccc12)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1ccccc1
InChIInChI=1S/C64H46N2/c1-63(2)61-49-27-13-12-19-42(49)33-38-56(61)55-31-18-30-54(62(55)63)51-36-35-45(48-26-14-15-28-50(48)51)41-66-60(40-59(65)43-20-6-3-7-21-43)44-34-37-53-52-29-16-17-32-57(52)64(58(53)39-44,46-22-8-4-9-23-46)47-24-10-5-11-25-47/h3-41,65H,1-2H3/b60-40-,65-59-,66-41+
InChIKeyFVDBNJRJBINXFD-APVJOJFASA-N
MW843.09 g/mol
LogP15.86
Rot. Bonds8

About (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(9,9-diphenylfluoren-2-yl)-1-phenylprop-2-ene-1,3-diimine

(Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(9,9-diphenylfluoren-2-yl)-1-phenylprop-2-ene-1,3-diimine (PubChem CID 176834811) has the molecular formula C64H46N2 and a molecular weight of 843.09 g/mol. Its IUPAC name is (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(9,9-diphenylfluoren-2-yl)-1-phenylprop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(9,9-diphenylfluoren-2-yl)-1-phenylprop-2-ene-1,3-diimine
PubChem CID176834811
Molecular FormulaC64H46N2
Molecular Weight843.09 g/mol
Exact Mass842.37
IUPAC Name(Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(9,9-diphenylfluoren-2-yl)-1-phenylprop-2-ene-1,3-diimine
SMILES[H]/N=C(/C=C(\N=C\c1ccc(-c2cccc3c2C(C)(C)c2c-3ccc3ccccc23)c2ccccc12)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1ccccc1
InChIInChI=1S/C64H46N2/c1-63(2)61-49-27-13-12-19-42(49)33-38-56(61)55-31-18-30-54(62(55)63)51-36-35-45(48-26-14-15-28-50(48)51)41-66-60(40-59(65)43-20-6-3-7-21-43)44-34-37-53-52-29-16-17-32-57(52)64(58(53)39-44,46-22-8-4-9-23-46)47-24-10-5-11-25-47/h3-41,65H,1-2H3/b60-40-,65-59-,66-41+
InChIKeyFVDBNJRJBINXFD-APVJOJFASA-N
XLogP15.86
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.09
LogP ≤ 515.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(9,9-diphenylfluoren-2-yl)-1-phenylprop-2-ene-1,3-diimine with MolForge

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Related Compounds

(Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(4-naphthalen-1-ylphenyl)-1-phenylprop-2-ene-1,3-diimine
CID 176835136
(Z)-3-(9H-carbazol-4-yl)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-1-phenylprop-2-ene-1,3-diimine
CID 176835178
(Z)-N'-[[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]methylidene]-3-phenanthren-9-yl-1-phenylprop-2-ene-1,3-diimine
CID 176834998
(Z)-N'-[[4-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-3-naphthalen-1-yl-1-phenylprop-2-ene-1,3-diimine
CID 176834698
(Z)-N'-[[4-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(3-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine
CID 176834933
(Z)-N'-[[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-phenylphenyl)prop-2-ene-1,3-diimine
CID 176834923
(Z)-N'-[[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-3-naphthalen-2-yl-1-phenylprop-2-ene-1,3-diimine
CID 176835224
(Z)-N'-[[4-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine
CID 176834984
(Z)-1-phenyl-N'-[(4-phenylphenyl)methylidene]-3-[4-(10-phenylspiro[acridine-9,11'-benzo[a]fluorene]-9'-yl)phenyl]prop-2-ene-1,3-diimine
CID 134303816
(Z)-N'-[[4-[4-(11H-benzo[a]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(3-phenylphenyl)prop-2-ene-1,3-diimine
CID 176835008
(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
(Z)-N'-[[4-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]naphthalen-1-yl]methylidene]-1-phenyl-3-(4-pyridin-3-ylphenyl)prop-2-ene-1,3-diimine
CID 176834940

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(9,9-diphenylfluoren-2-yl)-1-phenylprop-2-ene-1,3-diimine?
The IUPAC name of (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(9,9-diphenylfluoren-2-yl)-1-phenylprop-2-ene-1,3-diimine (CID 176834811) is (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(9,9-diphenylfluoren-2-yl)-1-phenylprop-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(9,9-diphenylfluoren-2-yl)-1-phenylprop-2-ene-1,3-diimine?
The canonical SMILES for (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(9,9-diphenylfluoren-2-yl)-1-phenylprop-2-ene-1,3-diimine is [H]/N=C(/C=C(\N=C\c1ccc(-c2cccc3c2C(C)(C)c2c-3ccc3ccccc23)c2ccccc12)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1ccccc1.
What is the InChIKey of (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(9,9-diphenylfluoren-2-yl)-1-phenylprop-2-ene-1,3-diimine?
The InChIKey is FVDBNJRJBINXFD-APVJOJFASA-N. The full InChI is InChI=1S/C64H46N2/c1-63(2)61-49-27-13-12-19-42(49)33-38-56(61)55-31-18-30-54(62(55)63)51-36-35-45(48-26-14-15-28-50(48)51)41-66-60(40-59(65)43-20-6-3-7-21-43)44-34-37-53-52-29-16-17-32-57(52)64(58(53)39-44,46-22-8-4-9-23-46)47-24-10-5-11-25-47/h3-41,65H,1-2H3/b60-40-,65-59-,66-41+.
What are the key properties of (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(9,9-diphenylfluoren-2-yl)-1-phenylprop-2-ene-1,3-diimine?
(Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(9,9-diphenylfluoren-2-yl)-1-phenylprop-2-ene-1,3-diimine has a molecular weight of 843.09 g/mol, XLogP of 15.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]methylidene]-3-(9,9-diphenylfluoren-2-yl)-1-phenylprop-2-ene-1,3-diimine is sourced from PubChem (CID 176834811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).