N-(3,5-diphenylphenyl)-2-phenyl-3-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-4-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-5-triphenylen-2-ylaniline

C144H99N3 — CID 163758352

IUPACN-(3,5-diphenylphenyl)-2-phenyl-3-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-4-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-5-triphenylen-2-ylaniline
SMILESc1ccc(-c2cc(Nc3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3-c3ccccc3)cc(-c3ccccc3)c2)cc1.c1ccc(-c2cc(Nc3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3-c3ccccc3)cc(-c3ccccc3)c2)cc1.c1ccc(-c2cc(Nc3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/3C48H33N/c1-4-15-33(16-5-1)37-29-38(34-17-6-2-7-18-34)31-39(30-37)49-47-26-14-25-40(48(47)35-19-8-3-9-20-35)36-27-28-45-43-23-11-10-21-41(43)42-22-12-13-24-44(42)46(45)32-36;1-4-14-33(15-5-1)38-28-39(34-16-6-2-7-17-34)30-40(29-38)49-48-32-37(24-26-41(48)35-18-8-3-9-19-35)36-25-27-46-44-22-11-10-20-42(44)43-21-12-13-23-45(43)47(46)31-36;1-4-14-33(15-5-1)38-28-39(34-16-6-2-7-17-34)30-40(29-38)49-48-27-25-37(31-46(48)35-18-8-3-9-19-35)36-24-26-45-43-22-11-10-20-41(43)42-21-12-13-23-44(42)47(45)32-36/h3*1-32,49H
InChIKeyLWAJKJMKUMIVMK-UHFFFAOYSA-N
MW1871.40 g/mol
LogP40.67
Rot. Bonds18

About N-(3,5-diphenylphenyl)-2-phenyl-3-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-4-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-5-triphenylen-2-ylaniline

N-(3,5-diphenylphenyl)-2-phenyl-3-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-4-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-5-triphenylen-2-ylaniline (PubChem CID 163758352) has the molecular formula C144H99N3 and a molecular weight of 1871.40 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-2-phenyl-3-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-4-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-5-triphenylen-2-ylaniline.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-2-phenyl-3-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-4-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-5-triphenylen-2-ylaniline
PubChem CID163758352
Molecular FormulaC144H99N3
Molecular Weight1871.40 g/mol
Exact Mass1869.78
IUPAC NameN-(3,5-diphenylphenyl)-2-phenyl-3-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-4-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-5-triphenylen-2-ylaniline
SMILESc1ccc(-c2cc(Nc3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3-c3ccccc3)cc(-c3ccccc3)c2)cc1.c1ccc(-c2cc(Nc3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3-c3ccccc3)cc(-c3ccccc3)c2)cc1.c1ccc(-c2cc(Nc3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/3C48H33N/c1-4-15-33(16-5-1)37-29-38(34-17-6-2-7-18-34)31-39(30-37)49-47-26-14-25-40(48(47)35-19-8-3-9-20-35)36-27-28-45-43-23-11-10-21-41(43)42-22-12-13-24-44(42)46(45)32-36;1-4-14-33(15-5-1)38-28-39(34-16-6-2-7-17-34)30-40(29-38)49-48-32-37(24-26-41(48)35-18-8-3-9-19-35)36-25-27-46-44-22-11-10-20-42(44)43-21-12-13-23-45(43)47(46)31-36;1-4-14-33(15-5-1)38-28-39(34-16-6-2-7-17-34)30-40(29-38)49-48-27-25-37(31-46(48)35-18-8-3-9-19-35)36-24-26-45-43-22-11-10-20-41(43)42-21-12-13-23-44(42)47(45)32-36/h3*1-32,49H
InChIKeyLWAJKJMKUMIVMK-UHFFFAOYSA-N
XLogP40.67
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001871.40
LogP ≤ 540.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-2-phenyl-3-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-4-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-5-triphenylen-2-ylaniline?
The IUPAC name of N-(3,5-diphenylphenyl)-2-phenyl-3-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-4-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-5-triphenylen-2-ylaniline (CID 163758352) is N-(3,5-diphenylphenyl)-2-phenyl-3-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-4-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-5-triphenylen-2-ylaniline.
What is the SMILES notation for N-(3,5-diphenylphenyl)-2-phenyl-3-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-4-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-5-triphenylen-2-ylaniline?
The canonical SMILES for N-(3,5-diphenylphenyl)-2-phenyl-3-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-4-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-5-triphenylen-2-ylaniline is c1ccc(-c2cc(Nc3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc3-c3ccccc3)cc(-c3ccccc3)c2)cc1.c1ccc(-c2cc(Nc3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3-c3ccccc3)cc(-c3ccccc3)c2)cc1.c1ccc(-c2cc(Nc3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3-c3ccccc3)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-2-phenyl-3-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-4-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-5-triphenylen-2-ylaniline?
The InChIKey is LWAJKJMKUMIVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H33N/c1-4-15-33(16-5-1)37-29-38(34-17-6-2-7-18-34)31-39(30-37)49-47-26-14-25-40(48(47)35-19-8-3-9-20-35)36-27-28-45-43-23-11-10-21-41(43)42-22-12-13-24-44(42)46(45)32-36;1-4-14-33(15-5-1)38-28-39(34-16-6-2-7-17-34)30-40(29-38)49-48-32-37(24-26-41(48)35-18-8-3-9-19-35)36-25-27-46-44-22-11-10-20-42(44)43-21-12-13-23-45(43)47(46)31-36;1-4-14-33(15-5-1)38-28-39(34-16-6-2-7-17-34)30-40(29-38)49-48-27-25-37(31-46(48)35-18-8-3-9-19-35)36-24-26-45-43-22-11-10-20-41(43)42-21-12-13-23-44(42)47(45)32-36/h3*1-32,49H.
What are the key properties of N-(3,5-diphenylphenyl)-2-phenyl-3-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-4-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-5-triphenylen-2-ylaniline?
N-(3,5-diphenylphenyl)-2-phenyl-3-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-4-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-5-triphenylen-2-ylaniline has a molecular weight of 1871.40 g/mol, XLogP of 40.67, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-2-phenyl-3-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-4-triphenylen-2-ylaniline;N-(3,5-diphenylphenyl)-2-phenyl-5-triphenylen-2-ylaniline is sourced from PubChem (CID 163758352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).