4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline

C40H36N2 — CID 87615494

IUPAC4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline
SMILESCc1cccc(-c2c(N)c(-c3cccc(C)c3)c(-c3cccc(C)c3)c(-c3ccc(N)cc3)c2-c2cccc(C)c2)c1
InChIInChI=1S/C40H36N2/c1-25-9-5-13-30(21-25)36-35(29-17-19-34(41)20-18-29)37(31-14-6-10-26(2)22-31)39(33-16-8-12-28(4)24-33)40(42)38(36)32-15-7-11-27(3)23-32/h5-24H,41-42H2,1-4H3
InChIKeyLHBRGNNJQSXUCS-UHFFFAOYSA-N
MW544.74 g/mol
LogP10.42
Rot. Bonds5

About 4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline

4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline (PubChem CID 87615494) has the molecular formula C40H36N2 and a molecular weight of 544.74 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline
PubChem CID87615494
Molecular FormulaC40H36N2
Molecular Weight544.74 g/mol
Exact Mass544.29
IUPAC Name4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline
SMILESCc1cccc(-c2c(N)c(-c3cccc(C)c3)c(-c3cccc(C)c3)c(-c3ccc(N)cc3)c2-c2cccc(C)c2)c1
InChIInChI=1S/C40H36N2/c1-25-9-5-13-30(21-25)36-35(29-17-19-34(41)20-18-29)37(31-14-6-10-26(2)22-31)39(33-16-8-12-28(4)24-33)40(42)38(36)32-15-7-11-27(3)23-32/h5-24H,41-42H2,1-4H3
InChIKeyLHBRGNNJQSXUCS-UHFFFAOYSA-N
XLogP10.42
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.74
LogP ≤ 510.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline?
The IUPAC name of 4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline (CID 87615494) is 4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline.
What is the SMILES notation for 4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline?
The canonical SMILES for 4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline is Cc1cccc(-c2c(N)c(-c3cccc(C)c3)c(-c3cccc(C)c3)c(-c3ccc(N)cc3)c2-c2cccc(C)c2)c1.
What is the InChIKey of 4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline?
The InChIKey is LHBRGNNJQSXUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N2/c1-25-9-5-13-30(21-25)36-35(29-17-19-34(41)20-18-29)37(31-14-6-10-26(2)22-31)39(33-16-8-12-28(4)24-33)40(42)38(36)32-15-7-11-27(3)23-32/h5-24H,41-42H2,1-4H3.
What are the key properties of 4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline?
4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline has a molecular weight of 544.74 g/mol, XLogP of 10.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline is sourced from PubChem (CID 87615494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).