4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline

C48H38N4 — CID 22944349

IUPAC4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
SMILESNc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H38N4/c49-41-23-11-35(12-24-41)37-15-27-45(28-16-37)51(43-7-3-1-4-8-43)47-31-19-39(20-32-47)40-21-33-48(34-22-40)52(44-9-5-2-6-10-44)46-29-17-38(18-30-46)36-13-25-42(50)26-14-36/h1-34H,49-50H2
InChIKeyBHIHLWXLBYGHMS-UHFFFAOYSA-N
MW670.86 g/mol
LogP12.79
Rot. Bonds9

About 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline

4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline (PubChem CID 22944349) has the molecular formula C48H38N4 and a molecular weight of 670.86 g/mol. Its IUPAC name is 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline.

Molecular Properties

Compound Name4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
PubChem CID22944349
Molecular FormulaC48H38N4
Molecular Weight670.86 g/mol
Exact Mass670.31
IUPAC Name4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
SMILESNc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H38N4/c49-41-23-11-35(12-24-41)37-15-27-45(28-16-37)51(43-7-3-1-4-8-43)47-31-19-39(20-32-47)40-21-33-48(34-22-40)52(44-9-5-2-6-10-44)46-29-17-38(18-30-46)36-13-25-42(50)26-14-36/h1-34H,49-50H2
InChIKeyBHIHLWXLBYGHMS-UHFFFAOYSA-N
XLogP12.79
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.86
LogP ≤ 512.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline?
The IUPAC name of 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline (CID 22944349) is 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline.
What is the SMILES notation for 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline?
The canonical SMILES for 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline is Nc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline?
The InChIKey is BHIHLWXLBYGHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N4/c49-41-23-11-35(12-24-41)37-15-27-45(28-16-37)51(43-7-3-1-4-8-43)47-31-19-39(20-32-47)40-21-33-48(34-22-40)52(44-9-5-2-6-10-44)46-29-17-38(18-30-46)36-13-25-42(50)26-14-36/h1-34H,49-50H2.
What are the key properties of 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline?
4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline has a molecular weight of 670.86 g/mol, XLogP of 12.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline is sourced from PubChem (CID 22944349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).