19-ethyl-10-phenyl-9-aza-19-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene

C26H19N2+ — CID 132528900

IUPAC19-ethyl-10-phenyl-9-aza-19-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene
SMILESCC[n+]1c2c3c(nc(-c4ccccc4)cc3c3ccccc31)-c1ccccc1-2
InChIInChI=1S/C26H19N2/c1-2-28-23-15-9-8-12-18(23)21-16-22(17-10-4-3-5-11-17)27-25-19-13-6-7-14-20(19)26(28)24(21)25/h3-16H,2H2,1H3/q+1
InChIKeyYSGYMVVVPSQKBF-UHFFFAOYSA-N
MW359.45 g/mol
LogP6.01
Rot. Bonds2

About 19-ethyl-10-phenyl-9-aza-19-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene

19-ethyl-10-phenyl-9-aza-19-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene (PubChem CID 132528900) has the molecular formula C26H19N2+ and a molecular weight of 359.45 g/mol. Its IUPAC name is 19-ethyl-10-phenyl-9-aza-19-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene.

Molecular Properties

Compound Name19-ethyl-10-phenyl-9-aza-19-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene
PubChem CID132528900
Molecular FormulaC26H19N2+
Molecular Weight359.45 g/mol
Exact Mass359.15
IUPAC Name19-ethyl-10-phenyl-9-aza-19-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene
SMILESCC[n+]1c2c3c(nc(-c4ccccc4)cc3c3ccccc31)-c1ccccc1-2
InChIInChI=1S/C26H19N2/c1-2-28-23-15-9-8-12-18(23)21-16-22(17-10-4-3-5-11-17)27-25-19-13-6-7-14-20(19)26(28)24(21)25/h3-16H,2H2,1H3/q+1
InChIKeyYSGYMVVVPSQKBF-UHFFFAOYSA-N
XLogP6.01
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 19-ethyl-10-phenyl-9-aza-19-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene with MolForge

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Related Compounds

13-chloro-10-phenyl-9-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 12908001
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130260993
21-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121474888
4-(3,5-diphenylphenyl)-2-methyl-6-(4-naphthalen-1-ylphenyl)pyrimidine;2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine;2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 161366762
10-phenyl-6-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenanthridine
CID 146548512
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CID 146316578
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
4-[9-(4,6-diphenylpyrimidin-2-yl)benzo[k]phenanthridin-6-yl]-N,N-diphenylaniline
CID 171055149
2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
2-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549212
4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine
CID 130355522
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-phenyl-6-(2-phenylphenyl)phenanthridine
CID 146548752

Frequently Asked Questions

What is the IUPAC name of 19-ethyl-10-phenyl-9-aza-19-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene?
The IUPAC name of 19-ethyl-10-phenyl-9-aza-19-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene (CID 132528900) is 19-ethyl-10-phenyl-9-aza-19-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene.
What is the SMILES notation for 19-ethyl-10-phenyl-9-aza-19-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene?
The canonical SMILES for 19-ethyl-10-phenyl-9-aza-19-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene is CC[n+]1c2c3c(nc(-c4ccccc4)cc3c3ccccc31)-c1ccccc1-2.
What is the InChIKey of 19-ethyl-10-phenyl-9-aza-19-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene?
The InChIKey is YSGYMVVVPSQKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N2/c1-2-28-23-15-9-8-12-18(23)21-16-22(17-10-4-3-5-11-17)27-25-19-13-6-7-14-20(19)26(28)24(21)25/h3-16H,2H2,1H3/q+1.
What are the key properties of 19-ethyl-10-phenyl-9-aza-19-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene?
19-ethyl-10-phenyl-9-aza-19-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene has a molecular weight of 359.45 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 19-ethyl-10-phenyl-9-aza-19-azoniapentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2,4,6,8(20),9,11,13,15,17-decaene is sourced from PubChem (CID 132528900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).