N-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine

C53H36N2 — CID 59308877

IUPACN-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cc(-c5ccccc5)c(-c5ccccc5)c43)c3ccccn3)cc2)cc1
InChIInChI=1S/C53H36N2/c1-5-17-37(18-6-1)38-28-30-42(31-29-38)55(50-27-15-16-34-54-50)43-32-33-46-49(35-43)44-25-13-14-26-45(44)52-48(40-21-9-3-10-22-40)36-47(39-19-7-2-8-20-39)51(53(46)52)41-23-11-4-12-24-41/h1-36H
InChIKeyJBEFDRMFTZPUHR-UHFFFAOYSA-N
MW700.89 g/mol
LogP14.68
Rot. Bonds7

About N-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine

N-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine (PubChem CID 59308877) has the molecular formula C53H36N2 and a molecular weight of 700.89 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
PubChem CID59308877
Molecular FormulaC53H36N2
Molecular Weight700.89 g/mol
Exact Mass700.29
IUPAC NameN-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cc(-c5ccccc5)c(-c5ccccc5)c43)c3ccccn3)cc2)cc1
InChIInChI=1S/C53H36N2/c1-5-17-37(18-6-1)38-28-30-42(31-29-38)55(50-27-15-16-34-54-50)43-32-33-46-49(35-43)44-25-13-14-26-45(44)52-48(40-21-9-3-10-22-40)36-47(39-19-7-2-8-20-39)51(53(46)52)41-23-11-4-12-24-41/h1-36H
InChIKeyJBEFDRMFTZPUHR-UHFFFAOYSA-N
XLogP14.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.89
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
CID 59308408
N-pyridin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
CID 59308863
N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
CID 59308579
N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
CID 59307875
N-pyrazin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
CID 59308886
N,N-diphenyl-4-(3,4,7-triphenyltriphenylen-1-yl)aniline
CID 59308653
N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine
CID 59308571
N-naphthalen-2-yl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 59308126
N-(4-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine
CID 59308519
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline
CID 59308621
N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine
CID 59390587

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
The IUPAC name of N-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine (CID 59308877) is N-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3c3c(-c5ccccc5)cc(-c5ccccc5)c(-c5ccccc5)c43)c3ccccn3)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
The InChIKey is JBEFDRMFTZPUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2/c1-5-17-37(18-6-1)38-28-30-42(31-29-38)55(50-27-15-16-34-54-50)43-32-33-46-49(35-43)44-25-13-14-26-45(44)52-48(40-21-9-3-10-22-40)36-47(39-19-7-2-8-20-39)51(53(46)52)41-23-11-4-12-24-41/h1-36H.
What are the key properties of N-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
N-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine has a molecular weight of 700.89 g/mol, XLogP of 14.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine is sourced from PubChem (CID 59308877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).