pyridine;pentakis(1H-pyrrole);quinazoline

C33H36N8 — CID 161401177

IUPACpyridine;pentakis(1H-pyrrole);quinazoline
SMILESc1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1ccc2ncncc2c1.c1ccncc1
InChIInChI=1S/C8H6N2.C5H5N.5C4H5N/c1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-6-5-3-1;5*1-2-4-5-3-1/h1-6H;1-5H;5*1-5H
InChIKeyVUGKCTDZLXNPRV-UHFFFAOYSA-N
MW544.71 g/mol
LogP7.78
Rot. Bonds

About pyridine;pentakis(1H-pyrrole);quinazoline

pyridine;pentakis(1H-pyrrole);quinazoline (PubChem CID 161401177) has the molecular formula C33H36N8 and a molecular weight of 544.71 g/mol. Its IUPAC name is pyridine;pentakis(1H-pyrrole);quinazoline.

Molecular Properties

Compound Namepyridine;pentakis(1H-pyrrole);quinazoline
PubChem CID161401177
Molecular FormulaC33H36N8
Molecular Weight544.71 g/mol
Exact Mass544.31
IUPAC Namepyridine;pentakis(1H-pyrrole);quinazoline
SMILESc1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1ccc2ncncc2c1.c1ccncc1
InChIInChI=1S/C8H6N2.C5H5N.5C4H5N/c1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-6-5-3-1;5*1-2-4-5-3-1/h1-6H;1-5H;5*1-5H
InChIKeyVUGKCTDZLXNPRV-UHFFFAOYSA-N
XLogP7.78
TPSA117.62 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.71
LogP ≤ 57.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridine;pentakis(1H-pyrrole);quinazoline?
The IUPAC name of pyridine;pentakis(1H-pyrrole);quinazoline (CID 161401177) is pyridine;pentakis(1H-pyrrole);quinazoline.
What is the SMILES notation for pyridine;pentakis(1H-pyrrole);quinazoline?
The canonical SMILES for pyridine;pentakis(1H-pyrrole);quinazoline is c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1cc[nH]c1.c1ccc2ncncc2c1.c1ccncc1.
What is the InChIKey of pyridine;pentakis(1H-pyrrole);quinazoline?
The InChIKey is VUGKCTDZLXNPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C5H5N.5C4H5N/c1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-6-5-3-1;5*1-2-4-5-3-1/h1-6H;1-5H;5*1-5H.
What are the key properties of pyridine;pentakis(1H-pyrrole);quinazoline?
pyridine;pentakis(1H-pyrrole);quinazoline has a molecular weight of 544.71 g/mol, XLogP of 7.78, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;pentakis(1H-pyrrole);quinazoline is sourced from PubChem (CID 161401177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).