7,9-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-8H-acenaphthyleno[1,2-d]imidazole

C59H54N2 — CID 178184512

IUPAC7,9-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-8H-acenaphthyleno[1,2-d]imidazole
SMILESCc1cc([C@@H](C)c2ccccc2)c(N2CN(c3c([C@@H](C)c4ccccc4)cc(C)cc3[C@@H](C)c3ccccc3)C3=C2c2cccc4cccc3c24)c([C@@H](C)c2ccccc2)c1
InChIInChI=1S/C59H54N2/c1-38-33-51(40(3)44-21-11-7-12-22-44)56(52(34-38)41(4)45-23-13-8-14-24-45)60-37-61(59-50-32-20-30-48-29-19-31-49(55(48)50)58(59)60)57-53(42(5)46-25-15-9-16-26-46)35-39(2)36-54(57)43(6)47-27-17-10-18-28-47/h7-36,40-43H,37H2,1-6H3/t40-,41-,42-,43-/m0/s1
InChIKeySTEBCGLWTMRYEO-MXGQMUSSSA-N
MW791.10 g/mol
LogP15.19
Rot. Bonds10

About 7,9-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-8H-acenaphthyleno[1,2-d]imidazole

7,9-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-8H-acenaphthyleno[1,2-d]imidazole (PubChem CID 178184512) has the molecular formula C59H54N2 and a molecular weight of 791.10 g/mol. Its IUPAC name is 7,9-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-8H-acenaphthyleno[1,2-d]imidazole.

Molecular Properties

Compound Name7,9-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-8H-acenaphthyleno[1,2-d]imidazole
PubChem CID178184512
Molecular FormulaC59H54N2
Molecular Weight791.10 g/mol
Exact Mass790.43
IUPAC Name7,9-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-8H-acenaphthyleno[1,2-d]imidazole
SMILESCc1cc([C@@H](C)c2ccccc2)c(N2CN(c3c([C@@H](C)c4ccccc4)cc(C)cc3[C@@H](C)c3ccccc3)C3=C2c2cccc4cccc3c24)c([C@@H](C)c2ccccc2)c1
InChIInChI=1S/C59H54N2/c1-38-33-51(40(3)44-21-11-7-12-22-44)56(52(34-38)41(4)45-23-13-8-14-24-45)60-37-61(59-50-32-20-30-48-29-19-31-49(55(48)50)58(59)60)57-53(42(5)46-25-15-9-16-26-46)35-39(2)36-54(57)43(6)47-27-17-10-18-28-47/h7-36,40-43H,37H2,1-6H3/t40-,41-,42-,43-/m0/s1
InChIKeySTEBCGLWTMRYEO-MXGQMUSSSA-N
XLogP15.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.10
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,9-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-8H-acenaphthyleno[1,2-d]imidazole with MolForge

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Related Compounds

[1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-(3-phenylinden-1-ylidene)ruthenium;tricyclohexylphosphane
CID 72376333
catMETium RF1
CID 72376331
[1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinyliden] dichloro-(3-phenyl-1H-inden-1-yliden) (triphenylphosphin) ruthenium(II)
CID 117065359
[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]triphenylphosphine
CID 56923622
[1,3-Bis(2,6-diisopropylphenyl)-2-imidazolidinylidene] dichloro-(3-phenyl-1H-indene-1-ylidene) (triphenylphosphine) ruthenium(II)
CID 117065346
N,N'-diphenyl-N,N'-bis(1-naphthyl-phenyl)-(1,1'-biphenyl)-4,4'-diamine
CID 18458013
7,9-bis[2,6-di(propan-2-yl)phenyl]-8H-acenaphthyleno[1,2-d]imidazol-9-ium-8-ide
CID 56649840
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;dichloro-(3-phenylinden-1-ylidene)ruthenium;tricyclohexylphosphanium
CID 58905760
1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-(3-phenylinden-1-ylidene)ruthenium;tricyclohexylphosphanium
CID 58905761
4-[2-[4-[2-[6-[2-[4-[2-[4-(dihexylamino)phenyl]ethenyl]phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]ethenyl]-N,N-dihexylaniline
CID 91012679
1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-(3-phenylinden-1-ylidene)ruthenium
CID 134851160
1,3-bis[4-methyl-2,6-bis[(1R)-1-phenylethyl]phenyl]-2H-imidazol-2-ide;chlorocopper(1+)
CID 134945311

Frequently Asked Questions

What is the IUPAC name of 7,9-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-8H-acenaphthyleno[1,2-d]imidazole?
The IUPAC name of 7,9-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-8H-acenaphthyleno[1,2-d]imidazole (CID 178184512) is 7,9-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-8H-acenaphthyleno[1,2-d]imidazole.
What is the SMILES notation for 7,9-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-8H-acenaphthyleno[1,2-d]imidazole?
The canonical SMILES for 7,9-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-8H-acenaphthyleno[1,2-d]imidazole is Cc1cc([C@@H](C)c2ccccc2)c(N2CN(c3c([C@@H](C)c4ccccc4)cc(C)cc3[C@@H](C)c3ccccc3)C3=C2c2cccc4cccc3c24)c([C@@H](C)c2ccccc2)c1.
What is the InChIKey of 7,9-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-8H-acenaphthyleno[1,2-d]imidazole?
The InChIKey is STEBCGLWTMRYEO-MXGQMUSSSA-N. The full InChI is InChI=1S/C59H54N2/c1-38-33-51(40(3)44-21-11-7-12-22-44)56(52(34-38)41(4)45-23-13-8-14-24-45)60-37-61(59-50-32-20-30-48-29-19-31-49(55(48)50)58(59)60)57-53(42(5)46-25-15-9-16-26-46)35-39(2)36-54(57)43(6)47-27-17-10-18-28-47/h7-36,40-43H,37H2,1-6H3/t40-,41-,42-,43-/m0/s1.
What are the key properties of 7,9-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-8H-acenaphthyleno[1,2-d]imidazole?
7,9-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-8H-acenaphthyleno[1,2-d]imidazole has a molecular weight of 791.10 g/mol, XLogP of 15.19, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-8H-acenaphthyleno[1,2-d]imidazole is sourced from PubChem (CID 178184512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).