[4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate

C63H63NO6 — CID 59832713

IUPAC[4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C2(c3ccc(N(c4ccc(C5(c6ccc(OC(=O)C=C)cc6)CCCCC5)cc4)c4ccc(C5(c6ccc(OC(=O)C=C)cc6)CCCCC5)cc4)cc3)CCCCC2)cc1
InChIInChI=1S/C63H63NO6/c1-4-58(65)68-55-34-22-49(23-35-55)61(40-10-7-11-41-61)46-16-28-52(29-17-46)64(53-30-18-47(19-31-53)62(42-12-8-13-43-62)50-24-36-56(37-25-50)69-59(66)5-2)54-32-20-48(21-33-54)63(44-14-9-15-45-63)51-26-38-57(39-27-51)70-60(67)6-3/h4-6,16-39H,1-3,7-15,40-45H2
InChIKeyILRWZDVRXWYQRV-UHFFFAOYSA-N
MW930.20 g/mol
LogP15.18
Rot. Bonds15

About [4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate

[4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate (PubChem CID 59832713) has the molecular formula C63H63NO6 and a molecular weight of 930.20 g/mol. Its IUPAC name is [4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate
PubChem CID59832713
Molecular FormulaC63H63NO6
Molecular Weight930.20 g/mol
Exact Mass929.47
IUPAC Name[4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C2(c3ccc(N(c4ccc(C5(c6ccc(OC(=O)C=C)cc6)CCCCC5)cc4)c4ccc(C5(c6ccc(OC(=O)C=C)cc6)CCCCC5)cc4)cc3)CCCCC2)cc1
InChIInChI=1S/C63H63NO6/c1-4-58(65)68-55-34-22-49(23-35-55)61(40-10-7-11-41-61)46-16-28-52(29-17-46)64(53-30-18-47(19-31-53)62(42-12-8-13-43-62)50-24-36-56(37-25-50)69-59(66)5-2)54-32-20-48(21-33-54)63(44-14-9-15-45-63)51-26-38-57(39-27-51)70-60(67)6-3/h4-6,16-39H,1-3,7-15,40-45H2
InChIKeyILRWZDVRXWYQRV-UHFFFAOYSA-N
XLogP15.18
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.20
LogP ≤ 515.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate with MolForge

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Related Compounds

[4-[4-(2,3-dimethylphenyl)-N-[4-[1-[4-[4-(2,3-dimethylphenyl)-N-(4-prop-2-enoyloxyphenyl)anilino]phenyl]cyclohexyl]phenyl]anilino]phenyl] prop-2-enoate
CID 58205408
[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl] propanoate
CID 58814424
[4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate
CID 59832803
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 58800639
[2-methyl-4-[1-(3-methyl-4-prop-2-enoyloxyphenyl)cyclopentyl]phenyl] prop-2-enoate
CID 59739110
4-methyl-N,N-bis(4-methylphenyl)aniline;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
CID 87837292
[4-[4-[N-[3,5-bis(N-phenylanilino)phenyl]-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 58520163
[4-(4-methyl-N-[4-[2-[4-[2-[4-(4-methyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl] prop-2-enoate
CID 58807715
[4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate
CID 89016777
ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
CID 156728878
[6-[4-(N-phenylanilino)-N-(6-prop-2-enoyloxynaphthalen-2-yl)anilino]naphthalen-2-yl] prop-2-enoate
CID 58520027

Frequently Asked Questions

What is the IUPAC name of [4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate?
The IUPAC name of [4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate (CID 59832713) is [4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(C2(c3ccc(N(c4ccc(C5(c6ccc(OC(=O)C=C)cc6)CCCCC5)cc4)c4ccc(C5(c6ccc(OC(=O)C=C)cc6)CCCCC5)cc4)cc3)CCCCC2)cc1.
What is the InChIKey of [4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate?
The InChIKey is ILRWZDVRXWYQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H63NO6/c1-4-58(65)68-55-34-22-49(23-35-55)61(40-10-7-11-41-61)46-16-28-52(29-17-46)64(53-30-18-47(19-31-53)62(42-12-8-13-43-62)50-24-36-56(37-25-50)69-59(66)5-2)54-32-20-48(21-33-54)63(44-14-9-15-45-63)51-26-38-57(39-27-51)70-60(67)6-3/h4-6,16-39H,1-3,7-15,40-45H2.
What are the key properties of [4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate?
[4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate has a molecular weight of 930.20 g/mol, XLogP of 15.18, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate is sourced from PubChem (CID 59832713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).