N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine

C46H31N3 — CID 59307875

IUPACN-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccccc5)c5cnccn5)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C46H31N3/c1-5-15-32(16-6-1)40-30-41(33-17-7-2-8-18-33)45-38-24-14-13-23-37(38)42-29-36(25-26-39(42)46(45)44(40)34-19-9-3-10-20-34)49(35-21-11-4-12-22-35)43-31-47-27-28-48-43/h1-31H
InChIKeyQYPHEZUHTJRGCB-UHFFFAOYSA-N
MW625.78 g/mol
LogP12.41
Rot. Bonds6

About N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine

N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine (PubChem CID 59307875) has the molecular formula C46H31N3 and a molecular weight of 625.78 g/mol. Its IUPAC name is N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
PubChem CID59307875
Molecular FormulaC46H31N3
Molecular Weight625.78 g/mol
Exact Mass625.25
IUPAC NameN-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccccc5)c5cnccn5)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C46H31N3/c1-5-15-32(16-6-1)40-30-41(33-17-7-2-8-18-33)45-38-24-14-13-23-37(38)42-29-36(25-26-39(42)46(45)44(40)34-19-9-3-10-20-34)49(35-21-11-4-12-22-35)43-31-47-27-28-48-43/h1-31H
InChIKeyQYPHEZUHTJRGCB-UHFFFAOYSA-N
XLogP12.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.78
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pyrazin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
CID 59308886
N-pyridin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
CID 59308863
N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine
CID 59308571
N-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
CID 59308877
N-naphthalen-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
CID 59308408
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
N,N-diphenyl-4-(3,4,7-triphenyltriphenylen-1-yl)aniline
CID 59308653
N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine
CID 59308171
N-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
CID 59308579
N-(4-methylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)quinolin-2-amine
CID 59308519
N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-(3-phenylphenyl)triphenylen-2-amine
CID 59308138
2-[3,5-bis(1,4-diphenyltriphenylen-2-yl)phenyl]-1,4-diphenyltriphenylene
CID 123450993

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine?
The IUPAC name of N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine (CID 59307875) is N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine.
What is the SMILES notation for N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine?
The canonical SMILES for N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine is c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccccc5)c5cnccn5)ccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine?
The InChIKey is QYPHEZUHTJRGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3/c1-5-15-32(16-6-1)40-30-41(33-17-7-2-8-18-33)45-38-24-14-13-23-37(38)42-29-36(25-26-39(42)46(45)44(40)34-19-9-3-10-20-34)49(35-21-11-4-12-22-35)43-31-47-27-28-48-43/h1-31H.
What are the key properties of N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine?
N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine has a molecular weight of 625.78 g/mol, XLogP of 12.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine is sourced from PubChem (CID 59307875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).