benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;prop-1-ene;[(Z)-prop-1-enyl]benzene;[(E)-prop-1-enyl]benzene;prop-1-en-2-ylbenzene;prop-2-enylbenzene;rhodium;2,2,2-trifluoroethanone

C80H95F3N3ORh- — CID 157375728

IUPACbenzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;prop-1-ene;[(Z)-prop-1-enyl]benzene;[(E)-prop-1-enyl]benzene;prop-1-en-2-ylbenzene;prop-2-enylbenzene;rhodium;2,2,2-trifluoroethanone
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.C/C=C/c1ccccc1.C/C=C\c1ccccc1.C=C(C)c1ccccc1.C=CC.C=CCc1ccccc1.O=[C-]C(F)(F)F.[Rh].c1ccccc1
InChIInChI=1S/C33H43N3.4C9H10.C6H6.C3H6.C2F3O.Rh/c1-20(2)26-14-11-15-27(21(3)4)32(26)34-24(9)30-18-13-19-31(36-30)25(10)35-33-28(22(5)6)16-12-17-29(33)23(7)8;1-8(2)9-6-4-3-5-7-9;3*1-2-6-9-7-4-3-5-8-9;1-2-4-6-5-3-1;1-3-2;3-2(4,5)1-6;/h11-23H,1-10H3;3-7H,1H2,2H3;2*2-8H,1H3;2-5,7-8H,1,6H2;1-6H;3H,1H2,2H3;;/q;;;;;;;-1;/b34-24+,35-25+;;6-2+;6-2-;;;;;
InChIKeyFWGOQMKFAJLCLA-PYKFZGNLSA-N
MW1274.56 g/mol
LogP23.97
Rot. Bonds13

About benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;prop-1-ene;[(Z)-prop-1-enyl]benzene;[(E)-prop-1-enyl]benzene;prop-1-en-2-ylbenzene;prop-2-enylbenzene;rhodium;2,2,2-trifluoroethanone

benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;prop-1-ene;[(Z)-prop-1-enyl]benzene;[(E)-prop-1-enyl]benzene;prop-1-en-2-ylbenzene;prop-2-enylbenzene;rhodium;2,2,2-trifluoroethanone (PubChem CID 157375728) has the molecular formula C80H95F3N3ORh- and a molecular weight of 1274.56 g/mol. Its IUPAC name is benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;prop-1-ene;[(Z)-prop-1-enyl]benzene;[(E)-prop-1-enyl]benzene;prop-1-en-2-ylbenzene;prop-2-enylbenzene;rhodium;2,2,2-trifluoroethanone.

Molecular Properties

Compound Namebenzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;prop-1-ene;[(Z)-prop-1-enyl]benzene;[(E)-prop-1-enyl]benzene;prop-1-en-2-ylbenzene;prop-2-enylbenzene;rhodium;2,2,2-trifluoroethanone
PubChem CID157375728
Molecular FormulaC80H95F3N3ORh-
Molecular Weight1274.56 g/mol
Exact Mass1273.65
IUPAC Namebenzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;prop-1-ene;[(Z)-prop-1-enyl]benzene;[(E)-prop-1-enyl]benzene;prop-1-en-2-ylbenzene;prop-2-enylbenzene;rhodium;2,2,2-trifluoroethanone
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.C/C=C/c1ccccc1.C/C=C\c1ccccc1.C=C(C)c1ccccc1.C=CC.C=CCc1ccccc1.O=[C-]C(F)(F)F.[Rh].c1ccccc1
InChIInChI=1S/C33H43N3.4C9H10.C6H6.C3H6.C2F3O.Rh/c1-20(2)26-14-11-15-27(21(3)4)32(26)34-24(9)30-18-13-19-31(36-30)25(10)35-33-28(22(5)6)16-12-17-29(33)23(7)8;1-8(2)9-6-4-3-5-7-9;3*1-2-6-9-7-4-3-5-8-9;1-2-4-6-5-3-1;1-3-2;3-2(4,5)1-6;/h11-23H,1-10H3;3-7H,1H2,2H3;2*2-8H,1H3;2-5,7-8H,1,6H2;1-6H;3H,1H2,2H3;;/q;;;;;;;-1;/b34-24+,35-25+;;6-2+;6-2-;;;;;
InChIKeyFWGOQMKFAJLCLA-PYKFZGNLSA-N
XLogP23.97
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001274.56
LogP ≤ 523.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;prop-1-ene;[(Z)-prop-1-enyl]benzene;[(E)-prop-1-enyl]benzene;prop-1-en-2-ylbenzene;prop-2-enylbenzene;rhodium;2,2,2-trifluoroethanone with MolForge

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Related Compounds

2,6-Bis[1-(2,6-DI-I-propylphenylimino)ethyl]pyridine
CID 10930103
N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;rhodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 11434856
N-[3-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-1-[6-[N-[3-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 139105220
bis([diphenyl-[4-(trifluoromethyl)phenyl]silyl]azanide);bis(N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine);bis(iridium)
CID 139121912
N-(2,6-diethylphenyl)-1-[6-[N-(2,6-diethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine;indium(1+);trifluoromethanesulfonate
CID 139132664
silver;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trifluoromethanesulfonate
CID 139174829
silver;acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139174830
acetonitrile;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;pentane;rhodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139174833
Bis(phosphaethenyl)pyridine copper(I)
CID 168348385
2,6-Bis[1-(N-2-benzylphenylimino)ethyl]pyridine
CID 11296517
(2,6-Bis[1-[(2,6-diisopropylphenyl)imino]benzyl]pyridine)
CID 11954879
(i-PrPDI)FeBr2
CID 92045096

Frequently Asked Questions

What is the IUPAC name of benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;prop-1-ene;[(Z)-prop-1-enyl]benzene;[(E)-prop-1-enyl]benzene;prop-1-en-2-ylbenzene;prop-2-enylbenzene;rhodium;2,2,2-trifluoroethanone?
The IUPAC name of benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;prop-1-ene;[(Z)-prop-1-enyl]benzene;[(E)-prop-1-enyl]benzene;prop-1-en-2-ylbenzene;prop-2-enylbenzene;rhodium;2,2,2-trifluoroethanone (CID 157375728) is benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;prop-1-ene;[(Z)-prop-1-enyl]benzene;[(E)-prop-1-enyl]benzene;prop-1-en-2-ylbenzene;prop-2-enylbenzene;rhodium;2,2,2-trifluoroethanone.
What is the SMILES notation for benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;prop-1-ene;[(Z)-prop-1-enyl]benzene;[(E)-prop-1-enyl]benzene;prop-1-en-2-ylbenzene;prop-2-enylbenzene;rhodium;2,2,2-trifluoroethanone?
The canonical SMILES for benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;prop-1-ene;[(Z)-prop-1-enyl]benzene;[(E)-prop-1-enyl]benzene;prop-1-en-2-ylbenzene;prop-2-enylbenzene;rhodium;2,2,2-trifluoroethanone is C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.C/C=C/c1ccccc1.C/C=C\c1ccccc1.C=C(C)c1ccccc1.C=CC.C=CCc1ccccc1.O=[C-]C(F)(F)F.[Rh].c1ccccc1.
What is the InChIKey of benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;prop-1-ene;[(Z)-prop-1-enyl]benzene;[(E)-prop-1-enyl]benzene;prop-1-en-2-ylbenzene;prop-2-enylbenzene;rhodium;2,2,2-trifluoroethanone?
The InChIKey is FWGOQMKFAJLCLA-PYKFZGNLSA-N. The full InChI is InChI=1S/C33H43N3.4C9H10.C6H6.C3H6.C2F3O.Rh/c1-20(2)26-14-11-15-27(21(3)4)32(26)34-24(9)30-18-13-19-31(36-30)25(10)35-33-28(22(5)6)16-12-17-29(33)23(7)8;1-8(2)9-6-4-3-5-7-9;3*1-2-6-9-7-4-3-5-8-9;1-2-4-6-5-3-1;1-3-2;3-2(4,5)1-6;/h11-23H,1-10H3;3-7H,1H2,2H3;2*2-8H,1H3;2-5,7-8H,1,6H2;1-6H;3H,1H2,2H3;;/q;;;;;;;-1;/b34-24+,35-25+;;6-2+;6-2-;;;;;.
What are the key properties of benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;prop-1-ene;[(Z)-prop-1-enyl]benzene;[(E)-prop-1-enyl]benzene;prop-1-en-2-ylbenzene;prop-2-enylbenzene;rhodium;2,2,2-trifluoroethanone?
benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;prop-1-ene;[(Z)-prop-1-enyl]benzene;[(E)-prop-1-enyl]benzene;prop-1-en-2-ylbenzene;prop-2-enylbenzene;rhodium;2,2,2-trifluoroethanone has a molecular weight of 1274.56 g/mol, XLogP of 23.97, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;prop-1-ene;[(Z)-prop-1-enyl]benzene;[(E)-prop-1-enyl]benzene;prop-1-en-2-ylbenzene;prop-2-enylbenzene;rhodium;2,2,2-trifluoroethanone is sourced from PubChem (CID 157375728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).