4-(4-anilinophenyl)-2,3-bis(4-methoxyphenyl)-N-phenylaniline

C38H32N2O2 — CID 67126877

IUPAC4-(4-anilinophenyl)-2,3-bis(4-methoxyphenyl)-N-phenylaniline
SMILESCOc1ccc(-c2c(Nc3ccccc3)ccc(-c3ccc(Nc4ccccc4)cc3)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C38H32N2O2/c1-41-33-21-15-28(16-22-33)37-35(27-13-19-32(20-14-27)39-30-9-5-3-6-10-30)25-26-36(40-31-11-7-4-8-12-31)38(37)29-17-23-34(42-2)24-18-29/h3-26,39-40H,1-2H3
InChIKeyBKDXHBNBTJUTBB-UHFFFAOYSA-N
MW548.69 g/mol
LogP10.19
Rot. Bonds9

About 4-(4-anilinophenyl)-2,3-bis(4-methoxyphenyl)-N-phenylaniline

4-(4-anilinophenyl)-2,3-bis(4-methoxyphenyl)-N-phenylaniline (PubChem CID 67126877) has the molecular formula C38H32N2O2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 4-(4-anilinophenyl)-2,3-bis(4-methoxyphenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-(4-anilinophenyl)-2,3-bis(4-methoxyphenyl)-N-phenylaniline
PubChem CID67126877
Molecular FormulaC38H32N2O2
Molecular Weight548.69 g/mol
Exact Mass548.25
IUPAC Name4-(4-anilinophenyl)-2,3-bis(4-methoxyphenyl)-N-phenylaniline
SMILESCOc1ccc(-c2c(Nc3ccccc3)ccc(-c3ccc(Nc4ccccc4)cc3)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C38H32N2O2/c1-41-33-21-15-28(16-22-33)37-35(27-13-19-32(20-14-27)39-30-9-5-3-6-10-30)25-26-36(40-31-11-7-4-8-12-31)38(37)29-17-23-34(42-2)24-18-29/h3-26,39-40H,1-2H3
InChIKeyBKDXHBNBTJUTBB-UHFFFAOYSA-N
XLogP10.19
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 510.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-anilinophenyl)-2,3-bis(4-methoxyphenyl)-N-phenylaniline?
The IUPAC name of 4-(4-anilinophenyl)-2,3-bis(4-methoxyphenyl)-N-phenylaniline (CID 67126877) is 4-(4-anilinophenyl)-2,3-bis(4-methoxyphenyl)-N-phenylaniline.
What is the SMILES notation for 4-(4-anilinophenyl)-2,3-bis(4-methoxyphenyl)-N-phenylaniline?
The canonical SMILES for 4-(4-anilinophenyl)-2,3-bis(4-methoxyphenyl)-N-phenylaniline is COc1ccc(-c2c(Nc3ccccc3)ccc(-c3ccc(Nc4ccccc4)cc3)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-(4-anilinophenyl)-2,3-bis(4-methoxyphenyl)-N-phenylaniline?
The InChIKey is BKDXHBNBTJUTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2O2/c1-41-33-21-15-28(16-22-33)37-35(27-13-19-32(20-14-27)39-30-9-5-3-6-10-30)25-26-36(40-31-11-7-4-8-12-31)38(37)29-17-23-34(42-2)24-18-29/h3-26,39-40H,1-2H3.
What are the key properties of 4-(4-anilinophenyl)-2,3-bis(4-methoxyphenyl)-N-phenylaniline?
4-(4-anilinophenyl)-2,3-bis(4-methoxyphenyl)-N-phenylaniline has a molecular weight of 548.69 g/mol, XLogP of 10.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anilinophenyl)-2,3-bis(4-methoxyphenyl)-N-phenylaniline is sourced from PubChem (CID 67126877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).