2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline

C48H40N6 — CID 100933717

IUPAC2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline
SMILESNc1ccc(-c2ccccc2)cc1-c1ccc(N)c(-c2ccc(N)c(-c3ccc(N)c(-c4ccc(N)c(-c5ccc(N)c(-c6ccccc6)c5)c4)c3)c2)c1
InChIInChI=1S/C48H40N6/c49-43-18-12-32(24-37(43)30-9-5-2-6-10-30)39-26-34(14-20-45(39)51)41-28-36(16-22-47(41)53)42-27-35(15-21-48(42)54)40-25-33(13-19-46(40)52)38-23-31(11-17-44(38)50)29-7-3-1-4-8-29/h1-28H,49-54H2
InChIKeyUOYBOAYAQKLJEZ-UHFFFAOYSA-N
MW700.89 g/mol
LogP10.85
Rot. Bonds7

About 2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline

2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline (PubChem CID 100933717) has the molecular formula C48H40N6 and a molecular weight of 700.89 g/mol. Its IUPAC name is 2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline.

Molecular Properties

Compound Name2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline
PubChem CID100933717
Molecular FormulaC48H40N6
Molecular Weight700.89 g/mol
Exact Mass700.33
IUPAC Name2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline
SMILESNc1ccc(-c2ccccc2)cc1-c1ccc(N)c(-c2ccc(N)c(-c3ccc(N)c(-c4ccc(N)c(-c5ccc(N)c(-c6ccccc6)c5)c4)c3)c2)c1
InChIInChI=1S/C48H40N6/c49-43-18-12-32(24-37(43)30-9-5-2-6-10-30)39-26-34(14-20-45(39)51)41-28-36(16-22-47(41)53)42-27-35(15-21-48(42)54)40-25-33(13-19-46(40)52)38-23-31(11-17-44(38)50)29-7-3-1-4-8-29/h1-28H,49-54H2
InChIKeyUOYBOAYAQKLJEZ-UHFFFAOYSA-N
XLogP10.85
TPSA156.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500700.89
LogP ≤ 510.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-2-(4-phenylphenyl)aniline
CID 153492708
2-(2,4-diphenylphenyl)aniline
CID 163426287
4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline
CID 90069493
4-(2-phenylphenyl)benzene-1,2-diamine
CID 122667618
4-phenylbenzene-1,2-diamine;dihydrochloride
CID 53439687
2,4,6-tris(4-phenylphenyl)aniline
CID 4248420
1,2,4-triphenylbenzene
CID 518325
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589
4-[1-(4-amino-3-phenylphenyl)-1-(4-phenylphenyl)ethyl]-2-phenylaniline
CID 146637405
4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline
CID 146637396
4-(4-amino-3-phenylphenoxy)-2-phenylaniline
CID 69279475

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline?
The IUPAC name of 2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline (CID 100933717) is 2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline.
What is the SMILES notation for 2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline?
The canonical SMILES for 2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline is Nc1ccc(-c2ccccc2)cc1-c1ccc(N)c(-c2ccc(N)c(-c3ccc(N)c(-c4ccc(N)c(-c5ccc(N)c(-c6ccccc6)c5)c4)c3)c2)c1.
What is the InChIKey of 2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline?
The InChIKey is UOYBOAYAQKLJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N6/c49-43-18-12-32(24-37(43)30-9-5-2-6-10-30)39-26-34(14-20-45(39)51)41-28-36(16-22-47(41)53)42-27-35(15-21-48(42)54)40-25-33(13-19-46(40)52)38-23-31(11-17-44(38)50)29-7-3-1-4-8-29/h1-28H,49-54H2.
What are the key properties of 2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline?
2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline has a molecular weight of 700.89 g/mol, XLogP of 10.85, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline is sourced from PubChem (CID 100933717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).