4-quinolin-6-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene

C32H18N2 — CID 59319139

IUPAC4-quinolin-6-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
SMILESc1cnc2c(c1)-c1cccc3c1c-2cc1c2ccccc2c(-c2ccc4ncccc4c2)cc31
InChIInChI=1S/C32H18N2/c1-2-8-22-21(7-1)26(19-12-13-30-20(16-19)6-4-14-33-30)17-28-24-10-3-9-23-25-11-5-15-34-32(25)29(31(23)24)18-27(22)28/h1-18H
InChIKeyDWMABWBXZBXKCV-UHFFFAOYSA-N
MW430.51 g/mol
LogP8.40
Rot. Bonds1

About 4-quinolin-6-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene

4-quinolin-6-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene (PubChem CID 59319139) has the molecular formula C32H18N2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-quinolin-6-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene.

Molecular Properties

Compound Name4-quinolin-6-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
PubChem CID59319139
Molecular FormulaC32H18N2
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC Name4-quinolin-6-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
SMILESc1cnc2c(c1)-c1cccc3c1c-2cc1c2ccccc2c(-c2ccc4ncccc4c2)cc31
InChIInChI=1S/C32H18N2/c1-2-8-22-21(7-1)26(19-12-13-30-20(16-19)6-4-14-33-30)17-28-24-10-3-9-23-25-11-5-15-34-32(25)29(31(23)24)18-27(22)28/h1-18H
InChIKeyDWMABWBXZBXKCV-UHFFFAOYSA-N
XLogP8.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-4-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319061
4-(9,9-dimethylfluoren-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319124
4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
CID 59318996
6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline
CID 121287344
4-[4-[15-[(1Z)-buta-1,3-dienyl]-14-methyl-4-pentacyclo[11.6.1.02,11.05,10.016,20]icosa-1,3,5,7,9,11,13(20),14,16,18-decaenyl]phenyl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
CID 87729072
6-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]quinoline
CID 167411285
4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319046
10-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-f]quinoline
CID 174287899
6-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)isoquinoline
CID 59330329
6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline
CID 151204837
6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline
CID 58323733
3-[3,8-bis(3-quinolin-6-ylphenyl)phenanthren-1-yl]-8-[3-[1-(3-quinolin-8-ylphenyl)phenanthren-3-yl]phenyl]quinoline
CID 137458731

Frequently Asked Questions

What is the IUPAC name of 4-quinolin-6-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?
The IUPAC name of 4-quinolin-6-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene (CID 59319139) is 4-quinolin-6-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene.
What is the SMILES notation for 4-quinolin-6-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?
The canonical SMILES for 4-quinolin-6-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene is c1cnc2c(c1)-c1cccc3c1c-2cc1c2ccccc2c(-c2ccc4ncccc4c2)cc31.
What is the InChIKey of 4-quinolin-6-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?
The InChIKey is DWMABWBXZBXKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N2/c1-2-8-22-21(7-1)26(19-12-13-30-20(16-19)6-4-14-33-30)17-28-24-10-3-9-23-25-11-5-15-34-32(25)29(31(23)24)18-27(22)28/h1-18H.
What are the key properties of 4-quinolin-6-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?
4-quinolin-6-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene has a molecular weight of 430.51 g/mol, XLogP of 8.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-6-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene is sourced from PubChem (CID 59319139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).