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

C44H29N5 — CID 59308886

IUPACN-pyrazin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5cnccn5)c5cnccn5)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C44H29N5/c1-4-12-30(13-5-1)37-27-38(31-14-6-2-7-15-31)43-35-19-11-10-18-34(35)39-26-33(20-21-36(39)44(43)42(37)32-16-8-3-9-17-32)49(40-28-45-22-24-47-40)41-29-46-23-25-48-41/h1-29H
InChIKeyFBKUNXIRAMVADN-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.20
Rot. Bonds6

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

N-pyrazin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine (PubChem CID 59308886) has the molecular formula C44H29N5 and a molecular weight of 627.75 g/mol. Its IUPAC name is N-pyrazin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-pyrazin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
PubChem CID59308886
Molecular FormulaC44H29N5
Molecular Weight627.75 g/mol
Exact Mass627.24
IUPAC NameN-pyrazin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5cnccn5)c5cnccn5)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C44H29N5/c1-4-12-30(13-5-1)37-27-38(31-14-6-2-7-15-31)43-35-19-11-10-18-34(35)39-26-33(20-21-36(39)44(43)42(37)32-16-8-3-9-17-32)49(40-28-45-22-24-47-40)41-29-46-23-25-48-41/h1-29H
InChIKeyFBKUNXIRAMVADN-UHFFFAOYSA-N
XLogP11.20
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-pyrazin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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)pyrazin-2-amine
CID 59307875
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-perylen-3-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
CID 59308579
N-(4-methoxyphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-4-amine
CID 59308171
2-[3,5-bis(1,4-diphenyltriphenylen-2-yl)phenyl]-1,4-diphenyltriphenylene
CID 123450993
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
1,2,4-triphenyltriphenylene
CID 58820754
N,N-diphenyl-4-(3,4,7-triphenyltriphenylen-1-yl)aniline
CID 59308653
N-(4-methylphenyl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308779

Frequently Asked Questions

What is the IUPAC name of N-pyrazin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine?
The IUPAC name of N-pyrazin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine (CID 59308886) is N-pyrazin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine.
What is the SMILES notation for N-pyrazin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine?
The canonical SMILES for N-pyrazin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine is c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5cnccn5)c5cnccn5)ccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-pyrazin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine?
The InChIKey is FBKUNXIRAMVADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N5/c1-4-12-30(13-5-1)37-27-38(31-14-6-2-7-15-31)43-35-19-11-10-18-34(35)39-26-33(20-21-36(39)44(43)42(37)32-16-8-3-9-17-32)49(40-28-45-22-24-47-40)41-29-46-23-25-48-41/h1-29H.
What are the key properties of N-pyrazin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine?
N-pyrazin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine has a molecular weight of 627.75 g/mol, XLogP of 11.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine is sourced from PubChem (CID 59308886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).