dimethyl 4-[(E)-2-[4-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]-N-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]phenyl]anilino]phenyl]ethenyl]pyridine-2,6-dicarboxylate

C51H42N4O12 — CID 53486705

IUPACdimethyl 4-[(E)-2-[4-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]-N-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]phenyl]anilino]phenyl]ethenyl]pyridine-2,6-dicarboxylate
SMILESCOC(=O)c1cc(/C=C/c2ccc(N(c3ccc(/C=C/c4cc(C(=O)OC)nc(C(=O)OC)c4)cc3)c3ccc(/C=C/c4cc(C(=O)OC)nc(C(=O)OC)c4)cc3)cc2)cc(C(=O)OC)n1
InChIInChI=1S/C51H42N4O12/c1-62-46(56)40-25-34(26-41(52-40)47(57)63-2)10-7-31-13-19-37(20-14-31)55(38-21-15-32(16-22-38)8-11-35-27-42(48(58)64-3)53-43(28-35)49(59)65-4)39-23-17-33(18-24-39)9-12-36-29-44(50(60)66-5)54-45(30-36)51(61)67-6/h7-30H,1-6H3/b10-7+,11-8+,12-9+
InChIKeyVZAMMMWYGNDSRH-SRDSWEMOSA-N
MW902.91 g/mol
LogP8.57
Rot. Bonds15

About dimethyl 4-[(E)-2-[4-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]-N-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]phenyl]anilino]phenyl]ethenyl]pyridine-2,6-dicarboxylate

dimethyl 4-[(E)-2-[4-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]-N-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]phenyl]anilino]phenyl]ethenyl]pyridine-2,6-dicarboxylate (PubChem CID 53486705) has the molecular formula C51H42N4O12 and a molecular weight of 902.91 g/mol. Its IUPAC name is dimethyl 4-[(E)-2-[4-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]-N-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]phenyl]anilino]phenyl]ethenyl]pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[(E)-2-[4-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]-N-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]phenyl]anilino]phenyl]ethenyl]pyridine-2,6-dicarboxylate
PubChem CID53486705
Molecular FormulaC51H42N4O12
Molecular Weight902.91 g/mol
Exact Mass902.28
IUPAC Namedimethyl 4-[(E)-2-[4-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]-N-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]phenyl]anilino]phenyl]ethenyl]pyridine-2,6-dicarboxylate
SMILESCOC(=O)c1cc(/C=C/c2ccc(N(c3ccc(/C=C/c4cc(C(=O)OC)nc(C(=O)OC)c4)cc3)c3ccc(/C=C/c4cc(C(=O)OC)nc(C(=O)OC)c4)cc3)cc2)cc(C(=O)OC)n1
InChIInChI=1S/C51H42N4O12/c1-62-46(56)40-25-34(26-41(52-40)47(57)63-2)10-7-31-13-19-37(20-14-31)55(38-21-15-32(16-22-38)8-11-35-27-42(48(58)64-3)53-43(28-35)49(59)65-4)39-23-17-33(18-24-39)9-12-36-29-44(50(60)66-5)54-45(30-36)51(61)67-6/h7-30H,1-6H3/b10-7+,11-8+,12-9+
InChIKeyVZAMMMWYGNDSRH-SRDSWEMOSA-N
XLogP8.57
TPSA199.71 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500902.91
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze dimethyl 4-[(E)-2-[4-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]-N-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]phenyl]anilino]phenyl]ethenyl]pyridine-2,6-dicarboxylate with MolForge

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Related Compounds

dimethyl 4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyridine-2,6-dicarboxylate
CID 101466674
methyl 4-[4-[(E)-2-pyridin-4-ylethenyl]-N-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]anilino]benzoate
CID 24814387
methyl 6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-2-carboxylate
CID 141430755
dimethyl 6-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylate
CID 11089322
methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate
CID 143837659
N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 155888504
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602
dimethyl 4-propylpyridine-2,6-dicarboxylate
CID 138532950
methyl 3-[4-[4-(3-methoxy-3-oxoprop-1-enyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]prop-2-enoate
CID 76777420
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde
CID 85434462

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[(E)-2-[4-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]-N-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]phenyl]anilino]phenyl]ethenyl]pyridine-2,6-dicarboxylate?
The IUPAC name of dimethyl 4-[(E)-2-[4-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]-N-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]phenyl]anilino]phenyl]ethenyl]pyridine-2,6-dicarboxylate (CID 53486705) is dimethyl 4-[(E)-2-[4-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]-N-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]phenyl]anilino]phenyl]ethenyl]pyridine-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 4-[(E)-2-[4-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]-N-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]phenyl]anilino]phenyl]ethenyl]pyridine-2,6-dicarboxylate?
The canonical SMILES for dimethyl 4-[(E)-2-[4-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]-N-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]phenyl]anilino]phenyl]ethenyl]pyridine-2,6-dicarboxylate is COC(=O)c1cc(/C=C/c2ccc(N(c3ccc(/C=C/c4cc(C(=O)OC)nc(C(=O)OC)c4)cc3)c3ccc(/C=C/c4cc(C(=O)OC)nc(C(=O)OC)c4)cc3)cc2)cc(C(=O)OC)n1.
What is the InChIKey of dimethyl 4-[(E)-2-[4-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]-N-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]phenyl]anilino]phenyl]ethenyl]pyridine-2,6-dicarboxylate?
The InChIKey is VZAMMMWYGNDSRH-SRDSWEMOSA-N. The full InChI is InChI=1S/C51H42N4O12/c1-62-46(56)40-25-34(26-41(52-40)47(57)63-2)10-7-31-13-19-37(20-14-31)55(38-21-15-32(16-22-38)8-11-35-27-42(48(58)64-3)53-43(28-35)49(59)65-4)39-23-17-33(18-24-39)9-12-36-29-44(50(60)66-5)54-45(30-36)51(61)67-6/h7-30H,1-6H3/b10-7+,11-8+,12-9+.
What are the key properties of dimethyl 4-[(E)-2-[4-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]-N-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]phenyl]anilino]phenyl]ethenyl]pyridine-2,6-dicarboxylate?
dimethyl 4-[(E)-2-[4-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]-N-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]phenyl]anilino]phenyl]ethenyl]pyridine-2,6-dicarboxylate has a molecular weight of 902.91 g/mol, XLogP of 8.57, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[(E)-2-[4-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]-N-[4-[(E)-2-[2,6-bis(methoxycarbonyl)-4-pyridinyl]ethenyl]phenyl]anilino]phenyl]ethenyl]pyridine-2,6-dicarboxylate is sourced from PubChem (CID 53486705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).