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

C33H18N2 — CID 162770142

IUPAC15-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
SMILESc1cc2c3c(c1)ccc1ccc4c(c13)c1c3c-2cccc3ccc1n4-c1ccnc2ccccc12
InChIInChI=1S/C33H18N2/c1-2-10-25-24(7-1)26(17-18-34-25)35-27-15-13-20-6-4-9-23-22-8-3-5-19-11-12-21-14-16-28(35)33(31(21)29(19)22)32(27)30(20)23/h1-18H
InChIKeyHUTPHWXQTNHUSE-UHFFFAOYSA-N
MW442.52 g/mol
LogP8.77
Rot. Bonds1

About 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

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 (PubChem CID 162770142) has the molecular formula C33H18N2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15-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
PubChem CID162770142
Molecular FormulaC33H18N2
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC Name15-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
SMILESc1cc2c3c(c1)ccc1ccc4c(c13)c1c3c-2cccc3ccc1n4-c1ccnc2ccccc12
InChIInChI=1S/C33H18N2/c1-2-10-25-24(7-1)26(17-18-34-25)35-27-15-13-20-6-4-9-23-22-8-3-5-19-11-12-21-14-16-28(35)33(31(21)29(19)22)32(27)30(20)23/h1-18H
InChIKeyHUTPHWXQTNHUSE-UHFFFAOYSA-N
XLogP8.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
6-quinolin-5-ylthieno[3,2-c]carbazole
CID 118228164
23-(2,3-diphenylquinoxalin-5-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 158064084
23-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 155151383
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 139497776
23-[4-(4-carbazol-9-ylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 139497902
23-(2,4-diphenylquinazolin-8-yl)-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 164807997
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
2-phenyl-6-quinolin-5-yl-[1,3]oxazolo[4,5-c]carbazole
CID 118228204
15-[4-(9-phenylcarbazol-2-yl)quinazolin-2-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 162770146
9-phenyl-17-(6-phenylnaphthalen-1-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 163498538

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc2c3c(c1)ccc1ccc4c(c13)c1c3c-2cccc3ccc1n4-c1ccnc2ccccc12.
What is the InChIKey of 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?
The InChIKey is HUTPHWXQTNHUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18N2/c1-2-10-25-24(7-1)26(17-18-34-25)35-27-15-13-20-6-4-9-23-22-8-3-5-19-11-12-21-14-16-28(35)33(31(21)29(19)22)32(27)30(20)23/h1-18H.
What are the key properties of 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?
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 has a molecular weight of 442.52 g/mol, XLogP of 8.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162770142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).