beryllium 7-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[h]quinolin-1-ium-10-olate

C33H21BeNO+2 — CID 20606749

IUPACberyllium 7-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[h]quinolin-1-ium-10-olate
SMILES[Be+2].[O-]c1ccc(-c2ccc(-c3cccc4ccccc34)c3ccccc23)c2ccc3ccc[nH+]c3c12
InChIInChI=1S/C33H21NO.Be/c35-31-19-18-29(30-15-14-22-9-6-20-34-33(22)32(30)31)28-17-16-27(25-11-3-4-12-26(25)28)24-13-5-8-21-7-1-2-10-23(21)24;/h1-20,35H;/q;+2
InChIKeyPRYJVYXTCKEKAY-UHFFFAOYSA-N
MW456.55 g/mol
LogP7.14
Rot. Bonds2

About beryllium 7-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[h]quinolin-1-ium-10-olate

beryllium 7-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[h]quinolin-1-ium-10-olate (PubChem CID 20606749) has the molecular formula C33H21BeNO+2 and a molecular weight of 456.55 g/mol. Its IUPAC name is beryllium 7-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[h]quinolin-1-ium-10-olate.

Molecular Properties

Compound Nameberyllium 7-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[h]quinolin-1-ium-10-olate
PubChem CID20606749
Molecular FormulaC33H21BeNO+2
Molecular Weight456.55 g/mol
Exact Mass456.17
IUPAC Nameberyllium 7-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[h]quinolin-1-ium-10-olate
SMILES[Be+2].[O-]c1ccc(-c2ccc(-c3cccc4ccccc34)c3ccccc23)c2ccc3ccc[nH+]c3c12
InChIInChI=1S/C33H21NO.Be/c35-31-19-18-29(30-15-14-22-9-6-20-34-33(22)32(30)31)28-17-16-27(25-11-3-4-12-26(25)28)24-13-5-8-21-7-1-2-10-23(21)24;/h1-20,35H;/q;+2
InChIKeyPRYJVYXTCKEKAY-UHFFFAOYSA-N
XLogP7.14
TPSA37.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(Piperidin-3-ylamino)isoquinolin-7-yl]phenol
CID 156018227
Dibenzo[f,h]quinolin-7-ol
CID 219962
1-(Quinolin-3-ylaminomethyl)-naphthalen-2-ol
CID 951184
1-[[2-(1H-indol-3-yl)ethylamino]methyl]naphthalen-2-ol
CID 83454240
Beryllium, bis(benzo(h)quinolin-10-olato-kappaN1,kappaO10)-, (T-4)-
CID 22596848
6-(3-hydroxyphenyl)-1-(1H-indol-5-yl)naphthalen-2-ol
CID 50942515
8-(2-Hydroxynaphthalen-1-yl)quinoline
CID 134843613
Bis(10-hydroxybenzo[H]quinolinato)beryllium
CID 15333273
(1S)-3-(1,10-Phenanthrolin-2-yl)-2'-phenyl-[1,1'-binaphthalen]-2-ol
CID 136672961
{3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Phenyl}[(2-Methoxy-1-Naphthyl) Methyl]Amine
CID 66914444
{3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Phenyl}[(6-Methoxy-2-Naphthyl) Methyl]Amine
CID 66914583
1-Phenanthren-9-yloxyquinolin-1-ium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139741584

Frequently Asked Questions

What is the IUPAC name of beryllium 7-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[h]quinolin-1-ium-10-olate?
The IUPAC name of beryllium 7-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[h]quinolin-1-ium-10-olate (CID 20606749) is beryllium 7-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[h]quinolin-1-ium-10-olate.
What is the SMILES notation for beryllium 7-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[h]quinolin-1-ium-10-olate?
The canonical SMILES for beryllium 7-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[h]quinolin-1-ium-10-olate is [Be+2].[O-]c1ccc(-c2ccc(-c3cccc4ccccc34)c3ccccc23)c2ccc3ccc[nH+]c3c12.
What is the InChIKey of beryllium 7-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[h]quinolin-1-ium-10-olate?
The InChIKey is PRYJVYXTCKEKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21NO.Be/c35-31-19-18-29(30-15-14-22-9-6-20-34-33(22)32(30)31)28-17-16-27(25-11-3-4-12-26(25)28)24-13-5-8-21-7-1-2-10-23(21)24;/h1-20,35H;/q;+2.
What are the key properties of beryllium 7-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[h]quinolin-1-ium-10-olate?
beryllium 7-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[h]quinolin-1-ium-10-olate has a molecular weight of 456.55 g/mol, XLogP of 7.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium 7-(4-naphthalen-1-ylnaphthalen-1-yl)benzo[h]quinolin-1-ium-10-olate is sourced from PubChem (CID 20606749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).