CID 58803437

C30H21AlN3O2 — CID 58803437

IUPAC—
SMILESc1ccc(-c2ccc(O[Al]Oc3ccccc3-c3nc4cccnc4n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H13N3O.C12H10O.Al/c22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-12,22H;1-9,13H;/q;;+2/p-2
InChIKeyUYNXDHQCTFYXQG-UHFFFAOYSA-L
MW482.50 g/mol
LogP6.75
Rot. Bonds7

About CID 58803437

CID 58803437 (PubChem CID 58803437) has the molecular formula C30H21AlN3O2 and a molecular weight of 482.50 g/mol.

Molecular Properties

Compound NameCID 58803437
PubChem CID58803437
Molecular FormulaC30H21AlN3O2
Molecular Weight482.50 g/mol
Exact Mass482.14
IUPAC Name—
SMILESc1ccc(-c2ccc(O[Al]Oc3ccccc3-c3nc4cccnc4n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H13N3O.C12H10O.Al/c22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-12,22H;1-9,13H;/q;;+2/p-2
InChIKeyUYNXDHQCTFYXQG-UHFFFAOYSA-L
XLogP6.75
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.50
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 58803464
CID 58803464
CID 59879728
CID 59879728
3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 20606867
2-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 23527790
3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine
CID 59336473
3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine
CID 23391355
2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine
CID 58803402
3-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 58345186
2-[3-fluoro-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391315
2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391310
9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 58732005
2-(2-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 83430661

Frequently Asked Questions

What is the IUPAC name of CID 58803437?
The IUPAC name of CID 58803437 (CID 58803437) is not available.
What is the SMILES notation for CID 58803437?
The canonical SMILES for CID 58803437 is c1ccc(-c2ccc(O[Al]Oc3ccccc3-c3nc4cccnc4n3-c3ccccc3)cc2)cc1.
What is the InChIKey of CID 58803437?
The InChIKey is UYNXDHQCTFYXQG-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H13N3O.C12H10O.Al/c22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-12,22H;1-9,13H;/q;;+2/p-2.
What are the key properties of CID 58803437?
CID 58803437 has a molecular weight of 482.50 g/mol, XLogP of 6.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58803437 is sourced from PubChem (CID 58803437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).