[4-[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(2-methylbutan-2-yloxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-pentan-2-ylphenyl)methanone

C63H64N2O3 — CID 70658512

IUPAC[4-[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(2-methylbutan-2-yloxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-pentan-2-ylphenyl)methanone
SMILESCCCC(C)c1ccc(C(=O)c2ccc(Oc3ccc(N(c4ccc(CC)cc4)c4ccc(-c5ccc(N(c6ccc(CC)cc6)c6ccc(OC(C)(C)CC)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C63H64N2O3/c1-8-12-45(5)48-17-19-51(20-18-48)62(66)52-25-39-59(40-26-52)67-60-41-35-57(36-42-60)64(53-27-13-46(9-2)14-28-53)55-31-21-49(22-32-55)50-23-33-56(34-24-50)65(54-29-15-47(10-3)16-30-54)58-37-43-61(44-38-58)68-63(6,7)11-4/h13-45H,8-12H2,1-7H3
InChIKeyFVFMNFSDFMVVIK-UHFFFAOYSA-N
MW897.22 g/mol
LogP17.91
Rot. Bonds19

About [4-[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(2-methylbutan-2-yloxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-pentan-2-ylphenyl)methanone

[4-[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(2-methylbutan-2-yloxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-pentan-2-ylphenyl)methanone (PubChem CID 70658512) has the molecular formula C63H64N2O3 and a molecular weight of 897.22 g/mol. Its IUPAC name is [4-[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(2-methylbutan-2-yloxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-pentan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(2-methylbutan-2-yloxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-pentan-2-ylphenyl)methanone
PubChem CID70658512
Molecular FormulaC63H64N2O3
Molecular Weight897.22 g/mol
Exact Mass896.49
IUPAC Name[4-[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(2-methylbutan-2-yloxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-pentan-2-ylphenyl)methanone
SMILESCCCC(C)c1ccc(C(=O)c2ccc(Oc3ccc(N(c4ccc(CC)cc4)c4ccc(-c5ccc(N(c6ccc(CC)cc6)c6ccc(OC(C)(C)CC)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C63H64N2O3/c1-8-12-45(5)48-17-19-51(20-18-48)62(66)52-25-39-59(40-26-52)67-60-41-35-57(36-42-60)64(53-27-13-46(9-2)14-28-53)55-31-21-49(22-32-55)50-23-33-56(34-24-50)65(54-29-15-47(10-3)16-30-54)58-37-43-61(44-38-58)68-63(6,7)11-4/h13-45H,8-12H2,1-7H3
InChIKeyFVFMNFSDFMVVIK-UHFFFAOYSA-N
XLogP17.91
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.22
LogP ≤ 517.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(2-methylbutan-2-yloxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-pentan-2-ylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(2-methylbutan-2-yloxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-pentan-2-ylphenyl)methanone?
The IUPAC name of [4-[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(2-methylbutan-2-yloxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-pentan-2-ylphenyl)methanone (CID 70658512) is [4-[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(2-methylbutan-2-yloxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-pentan-2-ylphenyl)methanone.
What is the SMILES notation for [4-[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(2-methylbutan-2-yloxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-pentan-2-ylphenyl)methanone?
The canonical SMILES for [4-[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(2-methylbutan-2-yloxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-pentan-2-ylphenyl)methanone is CCCC(C)c1ccc(C(=O)c2ccc(Oc3ccc(N(c4ccc(CC)cc4)c4ccc(-c5ccc(N(c6ccc(CC)cc6)c6ccc(OC(C)(C)CC)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(2-methylbutan-2-yloxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-pentan-2-ylphenyl)methanone?
The InChIKey is FVFMNFSDFMVVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H64N2O3/c1-8-12-45(5)48-17-19-51(20-18-48)62(66)52-25-39-59(40-26-52)67-60-41-35-57(36-42-60)64(53-27-13-46(9-2)14-28-53)55-31-21-49(22-32-55)50-23-33-56(34-24-50)65(54-29-15-47(10-3)16-30-54)58-37-43-61(44-38-58)68-63(6,7)11-4/h13-45H,8-12H2,1-7H3.
What are the key properties of [4-[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(2-methylbutan-2-yloxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-pentan-2-ylphenyl)methanone?
[4-[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(2-methylbutan-2-yloxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-pentan-2-ylphenyl)methanone has a molecular weight of 897.22 g/mol, XLogP of 17.91, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(2-methylbutan-2-yloxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]phenyl]-(4-pentan-2-ylphenyl)methanone is sourced from PubChem (CID 70658512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).