ethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine

C54H43N — CID 144803315

IUPACethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine
SMILESCC.[H]/N=C(/C=C(/c1ccccc1)c1cccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5ccccc5c5cc(C)ccc5c4c3)c2)c1)c1ccccc1
InChIInChI=1S/C52H37N.C2H6/c1-35-24-26-48-50(28-35)46-23-12-11-22-45(46)47-27-25-40(33-51(47)48)44-31-42(36-14-5-2-6-15-36)30-43(32-44)39-20-13-21-41(29-39)49(37-16-7-3-8-17-37)34-52(53)38-18-9-4-10-19-38;1-2/h2-34,53H,1H3;1-2H3/b49-34-,53-52-;
InChIKeyRFIFCLFLCSIMBC-CFUHOKHBSA-N
MW705.95 g/mol
LogP14.98
Rot. Bonds7

About ethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine

ethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine (PubChem CID 144803315) has the molecular formula C54H43N and a molecular weight of 705.95 g/mol. Its IUPAC name is ethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine
PubChem CID144803315
Molecular FormulaC54H43N
Molecular Weight705.95 g/mol
Exact Mass705.34
IUPAC Nameethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine
SMILESCC.[H]/N=C(/C=C(/c1ccccc1)c1cccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5ccccc5c5cc(C)ccc5c4c3)c2)c1)c1ccccc1
InChIInChI=1S/C52H37N.C2H6/c1-35-24-26-48-50(28-35)46-23-12-11-22-45(46)47-27-25-40(33-51(47)48)44-31-42(36-14-5-2-6-15-36)30-43(32-44)39-20-13-21-41(29-39)49(37-16-7-3-8-17-37)34-52(53)38-18-9-4-10-19-38;1-2/h2-34,53H,1H3;1-2H3/b49-34-,53-52-;
InChIKeyRFIFCLFLCSIMBC-CFUHOKHBSA-N
XLogP14.98
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.95
LogP ≤ 514.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine;toluene
CID 145412712
(Z)-3-imino-1-[4-(3-methylphenyl)phenyl]-3-phenylprop-1-en-1-amine
CID 145412713
(E)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3-phenyl-3-(4-phenylphenyl)prop-2-en-1-imine
CID 142294158
(Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine
CID 166569065
(Z)-3-[7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine
CID 166568902
(Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine
CID 166569028
(Z)-3-[7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine
CID 166568749
2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 160536482
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
ethane;2-(3-methylphenyl)triphenylene
CID 90881937
ethane;methane;2-(4-methylphenyl)triphenylene
CID 144703361
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine?
The IUPAC name of ethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine (CID 144803315) is ethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine?
The canonical SMILES for ethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine is CC.[H]/N=C(/C=C(/c1ccccc1)c1cccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5ccccc5c5cc(C)ccc5c4c3)c2)c1)c1ccccc1.
What is the InChIKey of ethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine?
The InChIKey is RFIFCLFLCSIMBC-CFUHOKHBSA-N. The full InChI is InChI=1S/C52H37N.C2H6/c1-35-24-26-48-50(28-35)46-23-12-11-22-45(46)47-27-25-40(33-51(47)48)44-31-42(36-14-5-2-6-15-36)30-43(32-44)39-20-13-21-41(29-39)49(37-16-7-3-8-17-37)34-52(53)38-18-9-4-10-19-38;1-2/h2-34,53H,1H3;1-2H3/b49-34-,53-52-;.
What are the key properties of ethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine?
ethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine has a molecular weight of 705.95 g/mol, XLogP of 14.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine is sourced from PubChem (CID 144803315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).