4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline

C27H15N — CID 59845165

IUPAC4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline
SMILESc1cc2c3c(c1)ccc1ccc4c(-c5ccnc6ccccc56)ccc-2c4c13
InChIInChI=1S/C27H15N/c1-2-7-24-20(5-1)19(14-15-28-24)18-12-13-23-21-6-3-4-16-8-9-17-10-11-22(18)27(23)26(17)25(16)21/h1-15H
InChIKeyZEDUVLBIKBCULI-UHFFFAOYSA-N
MW353.42 g/mol
LogP7.34
Rot. Bonds1

About 4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline

4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline (PubChem CID 59845165) has the molecular formula C27H15N and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline.

Molecular Properties

Compound Name4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline
PubChem CID59845165
Molecular FormulaC27H15N
Molecular Weight353.42 g/mol
Exact Mass353.12
IUPAC Name4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline
SMILESc1cc2c3c(c1)ccc1ccc4c(-c5ccnc6ccccc56)ccc-2c4c13
InChIInChI=1S/C27H15N/c1-2-7-24-20(5-1)19(14-15-28-24)18-12-13-23-21-6-3-4-16-8-9-17-10-11-22(18)27(23)26(17)25(16)21/h1-15H
InChIKeyZEDUVLBIKBCULI-UHFFFAOYSA-N
XLogP7.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline with MolForge

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Related Compounds

4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
6-[5-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)naphthalen-1-yl]pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene
CID 59845176
15-quinolin-4-yl-15-azaheptacyclo[12.11.0.02,11.03,8.04,23.016,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,16(25),17,19(24),20,22-dodecaene
CID 162770142
3-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-1,5-naphthyridine
CID 59845101
3-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 59845177
4-[3-(1-benzofuran-2-yl)-8-quinolin-4-ylpyren-1-yl]quinoline
CID 59390459
7-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)hexacyclo[12.8.0.02,11.03,8.04,22.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaene
CID 142347629
4-[4-[6-phenyl-2-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]quinoline
CID 130264070
hexacyclo[12.8.0.02,7.03,21.08,13.017,22]docosa-1(14),2(7),3,5,8,10,12,15,17(22),18,20-undecaene
CID 21087955
4-naphthalen-2-ylquinoline
CID 14173372
cyclopenta[d][1]benzazepine
CID 90914140
1-(1,5-dinaphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 143933798

Frequently Asked Questions

What is the IUPAC name of 4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline?
The IUPAC name of 4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline (CID 59845165) is 4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline.
What is the SMILES notation for 4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline?
The canonical SMILES for 4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline is c1cc2c3c(c1)ccc1ccc4c(-c5ccnc6ccccc56)ccc-2c4c13.
What is the InChIKey of 4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline?
The InChIKey is ZEDUVLBIKBCULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15N/c1-2-7-24-20(5-1)19(14-15-28-24)18-12-13-23-21-6-3-4-16-8-9-17-10-11-22(18)27(23)26(17)25(16)21/h1-15H.
What are the key properties of 4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline?
4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline has a molecular weight of 353.42 g/mol, XLogP of 7.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)quinoline is sourced from PubChem (CID 59845165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).