N-[4-[1,1-bis[4-(furan-2-ylmethoxy)phenyl]ethyl]phenyl]-N-(4-methoxyphenyl)-4-phenylaniline

C49H41NO5 — CID 66679097

IUPACN-[4-[1,1-bis[4-(furan-2-ylmethoxy)phenyl]ethyl]phenyl]-N-(4-methoxyphenyl)-4-phenylaniline
SMILESCOc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(C(C)(c3ccc(OCc4ccco4)cc3)c3ccc(OCc4ccco4)cc3)cc2)cc1
InChIInChI=1S/C49H41NO5/c1-49(39-16-26-45(27-17-39)54-34-47-10-6-32-52-47,40-18-28-46(29-19-40)55-35-48-11-7-33-53-48)38-14-22-42(23-15-38)50(43-24-30-44(51-2)31-25-43)41-20-12-37(13-21-41)36-8-4-3-5-9-36/h3-33H,34-35H2,1-2H3
InChIKeyZVGKHKYLSSMGGD-UHFFFAOYSA-N
MW723.87 g/mol
LogP12.53
Rot. Bonds14

About N-[4-[1,1-bis[4-(furan-2-ylmethoxy)phenyl]ethyl]phenyl]-N-(4-methoxyphenyl)-4-phenylaniline

N-[4-[1,1-bis[4-(furan-2-ylmethoxy)phenyl]ethyl]phenyl]-N-(4-methoxyphenyl)-4-phenylaniline (PubChem CID 66679097) has the molecular formula C49H41NO5 and a molecular weight of 723.87 g/mol. Its IUPAC name is N-[4-[1,1-bis[4-(furan-2-ylmethoxy)phenyl]ethyl]phenyl]-N-(4-methoxyphenyl)-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[1,1-bis[4-(furan-2-ylmethoxy)phenyl]ethyl]phenyl]-N-(4-methoxyphenyl)-4-phenylaniline
PubChem CID66679097
Molecular FormulaC49H41NO5
Molecular Weight723.87 g/mol
Exact Mass723.30
IUPAC NameN-[4-[1,1-bis[4-(furan-2-ylmethoxy)phenyl]ethyl]phenyl]-N-(4-methoxyphenyl)-4-phenylaniline
SMILESCOc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(C(C)(c3ccc(OCc4ccco4)cc3)c3ccc(OCc4ccco4)cc3)cc2)cc1
InChIInChI=1S/C49H41NO5/c1-49(39-16-26-45(27-17-39)54-34-47-10-6-32-52-47,40-18-28-46(29-19-40)55-35-48-11-7-33-53-48)38-14-22-42(23-15-38)50(43-24-30-44(51-2)31-25-43)41-20-12-37(13-21-41)36-8-4-3-5-9-36/h3-33H,34-35H2,1-2H3
InChIKeyZVGKHKYLSSMGGD-UHFFFAOYSA-N
XLogP12.53
TPSA57.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.87
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-[4-[1,1-bis[4-(furan-2-ylmethoxy)phenyl]ethyl]phenyl]-N-(4-methoxyphenyl)-4-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[1,1-bis[4-(furan-2-ylmethoxy)phenyl]ethyl]phenyl]-N-(4-methoxyphenyl)-4-phenylaniline?
The IUPAC name of N-[4-[1,1-bis[4-(furan-2-ylmethoxy)phenyl]ethyl]phenyl]-N-(4-methoxyphenyl)-4-phenylaniline (CID 66679097) is N-[4-[1,1-bis[4-(furan-2-ylmethoxy)phenyl]ethyl]phenyl]-N-(4-methoxyphenyl)-4-phenylaniline.
What is the SMILES notation for N-[4-[1,1-bis[4-(furan-2-ylmethoxy)phenyl]ethyl]phenyl]-N-(4-methoxyphenyl)-4-phenylaniline?
The canonical SMILES for N-[4-[1,1-bis[4-(furan-2-ylmethoxy)phenyl]ethyl]phenyl]-N-(4-methoxyphenyl)-4-phenylaniline is COc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(C(C)(c3ccc(OCc4ccco4)cc3)c3ccc(OCc4ccco4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[1,1-bis[4-(furan-2-ylmethoxy)phenyl]ethyl]phenyl]-N-(4-methoxyphenyl)-4-phenylaniline?
The InChIKey is ZVGKHKYLSSMGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41NO5/c1-49(39-16-26-45(27-17-39)54-34-47-10-6-32-52-47,40-18-28-46(29-19-40)55-35-48-11-7-33-53-48)38-14-22-42(23-15-38)50(43-24-30-44(51-2)31-25-43)41-20-12-37(13-21-41)36-8-4-3-5-9-36/h3-33H,34-35H2,1-2H3.
What are the key properties of N-[4-[1,1-bis[4-(furan-2-ylmethoxy)phenyl]ethyl]phenyl]-N-(4-methoxyphenyl)-4-phenylaniline?
N-[4-[1,1-bis[4-(furan-2-ylmethoxy)phenyl]ethyl]phenyl]-N-(4-methoxyphenyl)-4-phenylaniline has a molecular weight of 723.87 g/mol, XLogP of 12.53, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1,1-bis[4-(furan-2-ylmethoxy)phenyl]ethyl]phenyl]-N-(4-methoxyphenyl)-4-phenylaniline is sourced from PubChem (CID 66679097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).