N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine

C61H38N2 — CID 59308579

IUPACN-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccccn5)c5ccc6c7cccc8cccc(c9cccc5c96)c87)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C61H38N2/c1-4-17-39(18-5-1)52-38-53(40-19-6-2-7-20-40)60-45-26-11-10-25-44(45)54-37-43(32-33-50(54)61(60)58(52)42-21-8-3-9-22-42)63(56-31-12-13-36-62-56)55-35-34-49-47-28-15-24-41-23-14-27-46(57(41)47)48-29-16-30-51(55)59(48)49/h1-38H
InChIKeyUGNODMLXGNMFNB-UHFFFAOYSA-N
MW798.99 g/mol
LogP17.06
Rot. Bonds6

About N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine

N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine (PubChem CID 59308579) has the molecular formula C61H38N2 and a molecular weight of 798.99 g/mol. Its IUPAC name is N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
PubChem CID59308579
Molecular FormulaC61H38N2
Molecular Weight798.99 g/mol
Exact Mass798.30
IUPAC NameN-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccccn5)c5ccc6c7cccc8cccc(c9cccc5c96)c87)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C61H38N2/c1-4-17-39(18-5-1)52-38-53(40-19-6-2-7-20-40)60-45-26-11-10-25-44(45)54-37-43(32-33-50(54)61(60)58(52)42-21-8-3-9-22-42)63(56-31-12-13-36-62-56)55-35-34-49-47-28-15-24-41-23-14-27-46(57(41)47)48-29-16-30-51(55)59(48)49/h1-38H
InChIKeyUGNODMLXGNMFNB-UHFFFAOYSA-N
XLogP17.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.99
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'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-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
CID 59308877
N-pyridin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
CID 59308863
N-pyrazin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
CID 59308886
N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
CID 59307875
N-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308019
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine
CID 59308571
N-naphthalen-2-yl-5,6,8-triphenyl-N-pyren-2-yltriphenylen-2-amine;N-naphthalen-2-yl-5,6,8-triphenyl-N-spiro[cyclopentane-1,9'-fluorene]-2'-yltriphenylen-2-amine;N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)perylen-3-amine
CID 162244011
N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine
CID 59308259
N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59307858
N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine
CID 59307890

Frequently Asked Questions

What is the IUPAC name of N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
The IUPAC name of N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine (CID 59308579) is N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine.
What is the SMILES notation for N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
The canonical SMILES for N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine is c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccccn5)c5ccc6c7cccc8cccc(c9cccc5c96)c87)ccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
The InChIKey is UGNODMLXGNMFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2/c1-4-17-39(18-5-1)52-38-53(40-19-6-2-7-20-40)60-45-26-11-10-25-44(45)54-37-43(32-33-50(54)61(60)58(52)42-21-8-3-9-22-42)63(56-31-12-13-36-62-56)55-35-34-49-47-28-15-24-41-23-14-27-46(57(41)47)48-29-16-30-51(55)59(48)49/h1-38H.
What are the key properties of N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine?
N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine has a molecular weight of 798.99 g/mol, XLogP of 17.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine is sourced from PubChem (CID 59308579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).