13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene

C52H29N3O — CID 162472964

IUPAC13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
SMILESc1ccc2c(c1)ccc1nc(-n3c4ccc5c6ccccc6c6ccccc6c5c4c4ccc5ccccc5c43)c(-c3ccc4oc5ccccc5c4c3)nc12
InChIInChI=1S/C52H29N3O/c1-3-13-33-30(11-1)22-26-43-50(33)54-49(32-23-28-46-42(29-32)38-18-9-10-20-45(38)56-46)52(53-43)55-44-27-25-40-37-17-6-5-15-35(37)36-16-7-8-19-39(36)47(40)48(44)41-24-21-31-12-2-4-14-34(31)51(41)55/h1-29H
InChIKeyYRICFPNKPRMKGD-UHFFFAOYSA-N
MW711.82 g/mol
LogP14.06
Rot. Bonds2

About 13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene

13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene (PubChem CID 162472964) has the molecular formula C52H29N3O and a molecular weight of 711.82 g/mol. Its IUPAC name is 13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene.

Molecular Properties

Compound Name13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
PubChem CID162472964
Molecular FormulaC52H29N3O
Molecular Weight711.82 g/mol
Exact Mass711.23
IUPAC Name13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
SMILESc1ccc2c(c1)ccc1nc(-n3c4ccc5c6ccccc6c6ccccc6c5c4c4ccc5ccccc5c43)c(-c3ccc4oc5ccccc5c4c3)nc12
InChIInChI=1S/C52H29N3O/c1-3-13-33-30(11-1)22-26-43-50(33)54-49(32-23-28-46-42(29-32)38-18-9-10-20-45(38)56-46)52(53-43)55-44-27-25-40-37-17-6-5-15-35(37)36-16-7-8-19-39(36)47(40)48(44)41-24-21-31-12-2-4-14-34(31)51(41)55/h1-29H
InChIKeyYRICFPNKPRMKGD-UHFFFAOYSA-N
XLogP14.06
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.82
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene with MolForge

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Related Compounds

13-(3-dibenzofuran-3-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 162472792
13-(3-dibenzofuran-2-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 162472834
26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-dibenzofuran-1-ylbenzo[f]quinoxalin-9-yl]-13-(3-dibenzofuran-1-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene
CID 166821458
2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-phenanthren-3-yl-[1]benzofuro[2,3-b]pyrazine
CID 162472750
11-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)quinoxalin-2-yl]benzo[a]carbazole
CID 167289437
13-(1-dibenzofuran-3-ylbenzo[f]quinazolin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 162472825
8-dibenzofuran-2-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
CID 142571164
2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-dibenzofuran-3-yl-[1]benzofuro[2,3-b]pyrazine
CID 162473026
26-[3-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)benzo[f]quinoxalin-8-yl]-13-[3-(4-phenylphenyl)benzo[h]quinoxalin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene
CID 166821209
13-(3-dibenzofuran-1-ylbenzo[h]quinoxalin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 162472796
8-(3-dibenzofuran-2-ylquinoxalin-2-yl)-26-phenyl-8,26-diazaoctacyclo[16.7.1.04,24.07,23.09,22.012,21.015,20.019,25]hexacosa-1(25),2,4(24),5,7(23),9(22),10,12(21),13,15(20),16,18-dodecaene
CID 162770258
12-(3-phenylquinoxalin-2-yl)-16-oxa-12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155020585

Frequently Asked Questions

What is the IUPAC name of 13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?
The IUPAC name of 13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene (CID 162472964) is 13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene.
What is the SMILES notation for 13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?
The canonical SMILES for 13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene is c1ccc2c(c1)ccc1nc(-n3c4ccc5c6ccccc6c6ccccc6c5c4c4ccc5ccccc5c43)c(-c3ccc4oc5ccccc5c4c3)nc12.
What is the InChIKey of 13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?
The InChIKey is YRICFPNKPRMKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29N3O/c1-3-13-33-30(11-1)22-26-43-50(33)54-49(32-23-28-46-42(29-32)38-18-9-10-20-45(38)56-46)52(53-43)55-44-27-25-40-37-17-6-5-15-35(37)36-16-7-8-19-39(36)47(40)48(44)41-24-21-31-12-2-4-14-34(31)51(41)55/h1-29H.
What are the key properties of 13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene?
13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene has a molecular weight of 711.82 g/mol, XLogP of 14.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(2-dibenzofuran-2-ylbenzo[f]quinoxalin-3-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene is sourced from PubChem (CID 162472964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).