ethane;[(4Z,5E)-5-ethylidene-1-(9H-fluoren-3-yl)-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrol-2-yl]methanimine;toluene

C37H44N2 — CID 142288910

IUPACethane;[(4Z,5E)-5-ethylidene-1-(9H-fluoren-3-yl)-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrol-2-yl]methanimine;toluene
SMILESCC.CC.Cc1ccccc1.[H]/N=C/c1c(/C=C\C)c(=C/C=C)/c(=C\C)n1-c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C26H24N2.C7H8.2C2H6/c1-4-9-22-23(10-5-2)26(17-27)28(25(22)6-3)20-14-13-19-15-18-11-7-8-12-21(18)24(19)16-20;1-7-5-3-2-4-6-7;2*1-2/h4-14,16-17,27H,1,15H2,2-3H3;2-6H,1H3;2*1-2H3/b10-5-,22-9-,25-6+,27-17+;;;
InChIKeyJVMURDGBFFWLLI-PSKZCJCMSA-N
MW516.77 g/mol
LogP8.89
Rot. Bonds4

About ethane;[(4Z,5E)-5-ethylidene-1-(9H-fluoren-3-yl)-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrol-2-yl]methanimine;toluene

ethane;[(4Z,5E)-5-ethylidene-1-(9H-fluoren-3-yl)-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrol-2-yl]methanimine;toluene (PubChem CID 142288910) has the molecular formula C37H44N2 and a molecular weight of 516.77 g/mol. Its IUPAC name is ethane;[(4Z,5E)-5-ethylidene-1-(9H-fluoren-3-yl)-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrol-2-yl]methanimine;toluene.

Molecular Properties

Compound Nameethane;[(4Z,5E)-5-ethylidene-1-(9H-fluoren-3-yl)-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrol-2-yl]methanimine;toluene
PubChem CID142288910
Molecular FormulaC37H44N2
Molecular Weight516.77 g/mol
Exact Mass516.35
IUPAC Nameethane;[(4Z,5E)-5-ethylidene-1-(9H-fluoren-3-yl)-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrol-2-yl]methanimine;toluene
SMILESCC.CC.Cc1ccccc1.[H]/N=C/c1c(/C=C\C)c(=C/C=C)/c(=C\C)n1-c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C26H24N2.C7H8.2C2H6/c1-4-9-22-23(10-5-2)26(17-27)28(25(22)6-3)20-14-13-19-15-18-11-7-8-12-21(18)24(19)16-20;1-7-5-3-2-4-6-7;2*1-2/h4-14,16-17,27H,1,15H2,2-3H3;2-6H,1H3;2*1-2H3/b10-5-,22-9-,25-6+,27-17+;;;
InChIKeyJVMURDGBFFWLLI-PSKZCJCMSA-N
XLogP8.89
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.77
LogP ≤ 58.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;[(4Z,5E)-5-ethylidene-1-(9H-fluoren-3-yl)-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrol-2-yl]methanimine;toluene with MolForge

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Related Compounds

(4Z,5E)-2-ethenyl-4,5-di(ethylidene)-1-phenyl-3-prop-1-enylpyrrole
CID 144543415
3-[3-ethenyl-1-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(9H-fluoren-3-yl)carbazole
CID 144619407
(2E,3Z)-4-ethenyl-2,3-di(ethylidene)-1-phenyl-5-[(Z)-prop-1-enyl]pyrrole;methane
CID 144543391
3-[(Z)-prop-1-enyl]-9H-fluorene
CID 173081579
ethane;9H-fluorene;naphthalene;toluene
CID 160674058
9-(9H-fluoren-3-yl)-14-(4-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163468224
(4Z,5E)-2-ethenyl-5-ethylidene-1-methyl-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrole
CID 174307966
(7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene
CID 170381836
but-2-ene;(3Z,4E)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-ethylidene-9-methyl-3,8-bis(prop-2-enylidene)-5-azatricyclo[8.4.0.02,6]tetradeca-1,6,9,11,13-pentaene;toluene
CID 142304823
9-[6-[3-(6-carbazol-9-yl-9H-fluoren-3-yl)phenyl]-9H-fluoren-3-yl]carbazole;bis(prop-1-ene)
CID 144541446
3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene
CID 145017041
benzene;ethane;tetrakis(9H-fluorene);naphthalene;propane;toluene
CID 159627808

Frequently Asked Questions

What is the IUPAC name of ethane;[(4Z,5E)-5-ethylidene-1-(9H-fluoren-3-yl)-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrol-2-yl]methanimine;toluene?
The IUPAC name of ethane;[(4Z,5E)-5-ethylidene-1-(9H-fluoren-3-yl)-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrol-2-yl]methanimine;toluene (CID 142288910) is ethane;[(4Z,5E)-5-ethylidene-1-(9H-fluoren-3-yl)-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrol-2-yl]methanimine;toluene.
What is the SMILES notation for ethane;[(4Z,5E)-5-ethylidene-1-(9H-fluoren-3-yl)-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrol-2-yl]methanimine;toluene?
The canonical SMILES for ethane;[(4Z,5E)-5-ethylidene-1-(9H-fluoren-3-yl)-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrol-2-yl]methanimine;toluene is CC.CC.Cc1ccccc1.[H]/N=C/c1c(/C=C\C)c(=C/C=C)/c(=C\C)n1-c1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of ethane;[(4Z,5E)-5-ethylidene-1-(9H-fluoren-3-yl)-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrol-2-yl]methanimine;toluene?
The InChIKey is JVMURDGBFFWLLI-PSKZCJCMSA-N. The full InChI is InChI=1S/C26H24N2.C7H8.2C2H6/c1-4-9-22-23(10-5-2)26(17-27)28(25(22)6-3)20-14-13-19-15-18-11-7-8-12-21(18)24(19)16-20;1-7-5-3-2-4-6-7;2*1-2/h4-14,16-17,27H,1,15H2,2-3H3;2-6H,1H3;2*1-2H3/b10-5-,22-9-,25-6+,27-17+;;;.
What are the key properties of ethane;[(4Z,5E)-5-ethylidene-1-(9H-fluoren-3-yl)-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrol-2-yl]methanimine;toluene?
ethane;[(4Z,5E)-5-ethylidene-1-(9H-fluoren-3-yl)-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrol-2-yl]methanimine;toluene has a molecular weight of 516.77 g/mol, XLogP of 8.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(4Z,5E)-5-ethylidene-1-(9H-fluoren-3-yl)-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrol-2-yl]methanimine;toluene is sourced from PubChem (CID 142288910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).