4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline

C40H37N3 — CID 70388801

IUPAC4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline
SMILESNc1ccc(Cc2ccccc2C(c2ccccc2Cc2ccc(N)cc2)c2ccccc2Cc2ccc(N)cc2)cc1
InChIInChI=1S/C40H37N3/c41-34-19-13-28(14-20-34)25-31-7-1-4-10-37(31)40(38-11-5-2-8-32(38)26-29-15-21-35(42)22-16-29)39-12-6-3-9-33(39)27-30-17-23-36(43)24-18-30/h1-24,40H,25-27,41-43H2
InChIKeyZXUSHIMVIWZBLW-UHFFFAOYSA-N
MW559.76 g/mol
LogP8.39
Rot. Bonds9

About 4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline

4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline (PubChem CID 70388801) has the molecular formula C40H37N3 and a molecular weight of 559.76 g/mol. Its IUPAC name is 4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline
PubChem CID70388801
Molecular FormulaC40H37N3
Molecular Weight559.76 g/mol
Exact Mass559.30
IUPAC Name4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline
SMILESNc1ccc(Cc2ccccc2C(c2ccccc2Cc2ccc(N)cc2)c2ccccc2Cc2ccc(N)cc2)cc1
InChIInChI=1S/C40H37N3/c41-34-19-13-28(14-20-34)25-31-7-1-4-10-37(31)40(38-11-5-2-8-32(38)26-29-15-21-35(42)22-16-29)39-12-6-3-9-33(39)27-30-17-23-36(43)24-18-30/h1-24,40H,25-27,41-43H2
InChIKeyZXUSHIMVIWZBLW-UHFFFAOYSA-N
XLogP8.39
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.76
LogP ≤ 58.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[(2-nonadecan-4-ylphenyl)methyl]aniline
CID 154511143
4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939
4-[[2-[2-(4-aminophenyl)phenyl]phenyl]methyl]aniline
CID 89211789
2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline
CID 142730612
4-[(4-aminophenyl)methyl]aniline;methane
CID 141439099
4-[(4-aminophenyl)methyl]aniline;hydrazine
CID 70467747
1-benzyl-2-propan-2-ylbenzene
CID 13215617
5-[(4-aminophenyl)methyl]benzene-1,2,4-triamine
CID 101277573
1-[chloro-[2-[(4-fluorophenyl)methyl]phenyl]methyl]-2-[(4-fluorophenyl)methyl]benzene
CID 69230893
4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline
CID 141439790
4-[2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]ethyl]aniline
CID 152709650
4,6-bis[(4-aminophenyl)methyl]-2-methylbenzene-1,3-diol;ethane;methane
CID 159987460

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline?
The IUPAC name of 4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline (CID 70388801) is 4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline.
What is the SMILES notation for 4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline?
The canonical SMILES for 4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline is Nc1ccc(Cc2ccccc2C(c2ccccc2Cc2ccc(N)cc2)c2ccccc2Cc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline?
The InChIKey is ZXUSHIMVIWZBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37N3/c41-34-19-13-28(14-20-34)25-31-7-1-4-10-37(31)40(38-11-5-2-8-32(38)26-29-15-21-35(42)22-16-29)39-12-6-3-9-33(39)27-30-17-23-36(43)24-18-30/h1-24,40H,25-27,41-43H2.
What are the key properties of 4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline?
4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline has a molecular weight of 559.76 g/mol, XLogP of 8.39, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[bis[2-[(4-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]aniline is sourced from PubChem (CID 70388801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).