6-phenyl-4-(4-phenylphenyl)benzo[a]quinolizin-5-ium

C31H22N+ — CID 175863447

IUPAC6-phenyl-4-(4-phenylphenyl)benzo[a]quinolizin-5-ium
SMILESc1ccc(-c2ccc(-c3cccc4c5ccccc5cc(-c5ccccc5)[n+]34)cc2)cc1
InChIInChI=1S/C31H22N/c1-3-10-23(11-4-1)24-18-20-26(21-19-24)29-16-9-17-30-28-15-8-7-14-27(28)22-31(32(29)30)25-12-5-2-6-13-25/h1-22H/q+1
InChIKeyFNISFJMOALEOIQ-UHFFFAOYSA-N
MW408.52 g/mol
LogP7.58
Rot. Bonds3

About 6-phenyl-4-(4-phenylphenyl)benzo[a]quinolizin-5-ium

6-phenyl-4-(4-phenylphenyl)benzo[a]quinolizin-5-ium (PubChem CID 175863447) has the molecular formula C31H22N+ and a molecular weight of 408.52 g/mol. Its IUPAC name is 6-phenyl-4-(4-phenylphenyl)benzo[a]quinolizin-5-ium.

Molecular Properties

Compound Name6-phenyl-4-(4-phenylphenyl)benzo[a]quinolizin-5-ium
PubChem CID175863447
Molecular FormulaC31H22N+
Molecular Weight408.52 g/mol
Exact Mass408.17
IUPAC Name6-phenyl-4-(4-phenylphenyl)benzo[a]quinolizin-5-ium
SMILESc1ccc(-c2ccc(-c3cccc4c5ccccc5cc(-c5ccccc5)[n+]34)cc2)cc1
InChIInChI=1S/C31H22N/c1-3-10-23(11-4-1)24-18-20-26(21-19-24)29-16-9-17-30-28-15-8-7-14-27(28)22-31(32(29)30)25-12-5-2-6-13-25/h1-22H/q+1
InChIKeyFNISFJMOALEOIQ-UHFFFAOYSA-N
XLogP7.58
TPSA4.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6-phenylheptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15,17,19,21,23(27),24-tetradecaene
CID 59642860
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194
9-[3-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene;9-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthrene
CID 158676895
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
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CID 158841778
28-phenylnonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2(20),3,5,7,9(34),10,12,14,16,18,21,23,25,27,29,31-heptadecaene
CID 123834956
2,8-diphenylperylene
CID 59642615
benzene;1,4-diphenylbenzene;naphthalene;phenanthrene;pyrene;triphenylene
CID 174918554
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
5,10-diphenylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 134958577
benzo[f]azulene
CID 13065869

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-(4-phenylphenyl)benzo[a]quinolizin-5-ium?
The IUPAC name of 6-phenyl-4-(4-phenylphenyl)benzo[a]quinolizin-5-ium (CID 175863447) is 6-phenyl-4-(4-phenylphenyl)benzo[a]quinolizin-5-ium.
What is the SMILES notation for 6-phenyl-4-(4-phenylphenyl)benzo[a]quinolizin-5-ium?
The canonical SMILES for 6-phenyl-4-(4-phenylphenyl)benzo[a]quinolizin-5-ium is c1ccc(-c2ccc(-c3cccc4c5ccccc5cc(-c5ccccc5)[n+]34)cc2)cc1.
What is the InChIKey of 6-phenyl-4-(4-phenylphenyl)benzo[a]quinolizin-5-ium?
The InChIKey is FNISFJMOALEOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N/c1-3-10-23(11-4-1)24-18-20-26(21-19-24)29-16-9-17-30-28-15-8-7-14-27(28)22-31(32(29)30)25-12-5-2-6-13-25/h1-22H/q+1.
What are the key properties of 6-phenyl-4-(4-phenylphenyl)benzo[a]quinolizin-5-ium?
6-phenyl-4-(4-phenylphenyl)benzo[a]quinolizin-5-ium has a molecular weight of 408.52 g/mol, XLogP of 7.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-(4-phenylphenyl)benzo[a]quinolizin-5-ium is sourced from PubChem (CID 175863447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).