4-methoxy-N-[4-[4-(N-(4-methoxy-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline

C40H36N2O2 — CID 23517938

IUPAC4-methoxy-N-[4-[4-(N-(4-methoxy-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline
SMILESCOc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(OC)cc4C)cc3)cc2)c(C)c1
InChIInChI=1S/C40H36N2O2/c1-29-27-37(43-3)23-25-39(29)41(33-11-7-5-8-12-33)35-19-15-31(16-20-35)32-17-21-36(22-18-32)42(34-13-9-6-10-14-34)40-26-24-38(44-4)28-30(40)2/h5-28H,1-4H3
InChIKeyHACXFZALVVMGPO-UHFFFAOYSA-N
MW576.74 g/mol
LogP10.93
Rot. Bonds9

About 4-methoxy-N-[4-[4-(N-(4-methoxy-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline

4-methoxy-N-[4-[4-(N-(4-methoxy-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline (PubChem CID 23517938) has the molecular formula C40H36N2O2 and a molecular weight of 576.74 g/mol. Its IUPAC name is 4-methoxy-N-[4-[4-(N-(4-methoxy-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline.

Molecular Properties

Compound Name4-methoxy-N-[4-[4-(N-(4-methoxy-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline
PubChem CID23517938
Molecular FormulaC40H36N2O2
Molecular Weight576.74 g/mol
Exact Mass576.28
IUPAC Name4-methoxy-N-[4-[4-(N-(4-methoxy-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline
SMILESCOc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(OC)cc4C)cc3)cc2)c(C)c1
InChIInChI=1S/C40H36N2O2/c1-29-27-37(43-3)23-25-39(29)41(33-11-7-5-8-12-33)35-19-15-31(16-20-35)32-17-21-36(22-18-32)42(34-13-9-6-10-14-34)40-26-24-38(44-4)28-30(40)2/h5-28H,1-4H3
InChIKeyHACXFZALVVMGPO-UHFFFAOYSA-N
XLogP10.93
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[4-(N-(4-methoxy-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline?
The IUPAC name of 4-methoxy-N-[4-[4-(N-(4-methoxy-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline (CID 23517938) is 4-methoxy-N-[4-[4-(N-(4-methoxy-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline.
What is the SMILES notation for 4-methoxy-N-[4-[4-(N-(4-methoxy-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline?
The canonical SMILES for 4-methoxy-N-[4-[4-(N-(4-methoxy-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline is COc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(OC)cc4C)cc3)cc2)c(C)c1.
What is the InChIKey of 4-methoxy-N-[4-[4-(N-(4-methoxy-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline?
The InChIKey is HACXFZALVVMGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N2O2/c1-29-27-37(43-3)23-25-39(29)41(33-11-7-5-8-12-33)35-19-15-31(16-20-35)32-17-21-36(22-18-32)42(34-13-9-6-10-14-34)40-26-24-38(44-4)28-30(40)2/h5-28H,1-4H3.
What are the key properties of 4-methoxy-N-[4-[4-(N-(4-methoxy-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline?
4-methoxy-N-[4-[4-(N-(4-methoxy-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline has a molecular weight of 576.74 g/mol, XLogP of 10.93, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[4-(N-(4-methoxy-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline is sourced from PubChem (CID 23517938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).