tris(4-phenylphenyl)methanamine

C37H29N — CID 4549118

IUPACtris(4-phenylphenyl)methanamine
SMILESNC(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C37H29N/c38-37(34-22-16-31(17-23-34)28-10-4-1-5-11-28,35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H,38H2
InChIKeyALRBIXSPEBFRJH-UHFFFAOYSA-N
MW487.65 g/mol
LogP8.94
Rot. Bonds6

About tris(4-phenylphenyl)methanamine

tris(4-phenylphenyl)methanamine (PubChem CID 4549118) has the molecular formula C37H29N and a molecular weight of 487.65 g/mol. Its IUPAC name is tris(4-phenylphenyl)methanamine.

Molecular Properties

Compound Nametris(4-phenylphenyl)methanamine
PubChem CID4549118
Molecular FormulaC37H29N
Molecular Weight487.65 g/mol
Exact Mass487.23
IUPAC Nametris(4-phenylphenyl)methanamine
SMILESNC(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C37H29N/c38-37(34-22-16-31(17-23-34)28-10-4-1-5-11-28,35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H,38H2
InChIKeyALRBIXSPEBFRJH-UHFFFAOYSA-N
XLogP8.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.65
LogP ≤ 58.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

phenyl-bis(4-phenylphenyl)methanamine
CID 70664322
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1-[chloro-bis(4-phenylphenyl)methyl]-4-phenylbenzene
CID 14292466
benzene;tris(1,1'-biphenyl)
CID 162155747
2-amino-2-(4-phenylphenyl)propanenitrile
CID 16783156
1-(1,1-diphenylethyl)-4-phenylbenzene
CID 143113230
1,4-diphenylbenzene;ethane;methanamine
CID 168951795
2-methyl-2-(4-phenylphenyl)propan-1-amine
CID 56687090
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
1-(2-iodopropan-2-yl)-4-phenylbenzene
CID 166661097
1-(4-phenylphenyl)ethane-1,1-diol
CID 67813476
1-(1,1-dichloroethyl)-4-phenylbenzene
CID 15702295

Frequently Asked Questions

What is the IUPAC name of tris(4-phenylphenyl)methanamine?
The IUPAC name of tris(4-phenylphenyl)methanamine (CID 4549118) is tris(4-phenylphenyl)methanamine.
What is the SMILES notation for tris(4-phenylphenyl)methanamine?
The canonical SMILES for tris(4-phenylphenyl)methanamine is NC(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of tris(4-phenylphenyl)methanamine?
The InChIKey is ALRBIXSPEBFRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N/c38-37(34-22-16-31(17-23-34)28-10-4-1-5-11-28,35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H,38H2.
What are the key properties of tris(4-phenylphenyl)methanamine?
tris(4-phenylphenyl)methanamine has a molecular weight of 487.65 g/mol, XLogP of 8.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-phenylphenyl)methanamine is sourced from PubChem (CID 4549118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).