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

C45H30N4 — CID 59308863

IUPACN-pyridin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccccn5)c5cnccn5)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C45H30N4/c1-4-14-31(15-5-1)38-29-39(32-16-6-2-7-17-32)44-36-21-11-10-20-35(36)40-28-34(23-24-37(40)45(44)43(38)33-18-8-3-9-19-33)49(41-22-12-13-25-47-41)42-30-46-26-27-48-42/h1-30H
InChIKeyMQYLIEKHMYPOQO-UHFFFAOYSA-N
MW626.76 g/mol
LogP11.80
Rot. Bonds6

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

N-pyridin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine (PubChem CID 59308863) has the molecular formula C45H30N4 and a molecular weight of 626.76 g/mol. Its IUPAC name is N-pyridin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-pyridin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
PubChem CID59308863
Molecular FormulaC45H30N4
Molecular Weight626.76 g/mol
Exact Mass626.25
IUPAC NameN-pyridin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccccn5)c5cnccn5)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C45H30N4/c1-4-14-31(15-5-1)38-29-39(32-16-6-2-7-17-32)44-36-21-11-10-20-35(36)40-28-34(23-24-37(40)45(44)43(38)33-18-8-3-9-19-33)49(41-22-12-13-25-47-41)42-30-46-26-27-48-42/h1-30H
InChIKeyMQYLIEKHMYPOQO-UHFFFAOYSA-N
XLogP11.80
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

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-(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-phenyl-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-3-amine
CID 59308571
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
(1Z,3E)-4-N-[4-(2,4-diphenyltriphenylen-1-yl)phenyl]-5-iodo-4-N-pyridin-2-ylpenta-1,3-diene-1,4-diamine
CID 89083605

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine?
The IUPAC name of N-pyridin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine (CID 59308863) is N-pyridin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine.
What is the SMILES notation for N-pyridin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine?
The canonical SMILES for N-pyridin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine is c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(N(c5ccccn5)c5cnccn5)ccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-pyridin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine?
The InChIKey is MQYLIEKHMYPOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4/c1-4-14-31(15-5-1)38-29-39(32-16-6-2-7-17-32)44-36-21-11-10-20-35(36)40-28-34(23-24-37(40)45(44)43(38)33-18-8-3-9-19-33)49(41-22-12-13-25-47-41)42-30-46-26-27-48-42/h1-30H.
What are the key properties of N-pyridin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine?
N-pyridin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine has a molecular weight of 626.76 g/mol, XLogP of 11.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-N-(5,6,8-triphenyltriphenylen-2-yl)pyrazin-2-amine is sourced from PubChem (CID 59308863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).