12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene

C40H23N3O — CID 139361745

IUPAC12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
SMILESc1ccc2cc3c(cc2c1)c1ccc2ccccc2c1n3-c1nc2ccccc2nc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C40H23N3O/c1-2-12-26-23-35-32(22-25(26)11-1)29-21-20-24-10-3-4-13-27(24)38(29)43(35)40-37(41-33-17-6-7-18-34(33)42-40)31-16-9-15-30-28-14-5-8-19-36(28)44-39(30)31/h1-23H
InChIKeyHCLICPLEDRJPFJ-UHFFFAOYSA-N
MW561.64 g/mol
LogP10.60
Rot. Bonds2

About 12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene

12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene (PubChem CID 139361745) has the molecular formula C40H23N3O and a molecular weight of 561.64 g/mol. Its IUPAC name is 12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene.

Molecular Properties

Compound Name12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
PubChem CID139361745
Molecular FormulaC40H23N3O
Molecular Weight561.64 g/mol
Exact Mass561.18
IUPAC Name12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
SMILESc1ccc2cc3c(cc2c1)c1ccc2ccccc2c1n3-c1nc2ccccc2nc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C40H23N3O/c1-2-12-26-23-35-32(22-25(26)11-1)29-21-20-24-10-3-4-13-27(24)38(29)43(35)40-37(41-33-17-6-7-18-34(33)42-40)31-16-9-15-30-28-14-5-8-19-36(28)44-39(30)31/h1-23H
InChIKeyHCLICPLEDRJPFJ-UHFFFAOYSA-N
XLogP10.60
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.64
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene with MolForge

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Related Compounds

4-dibenzofuran-4-yl-5-(3-phenylquinoxalin-2-yl)benzo[b]carbazole
CID 142569867
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
5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
CID 139361976
2-dibenzofuran-4-yl-5-[3-(5-phenylbenzo[b]carbazol-8-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 147851338
9-benzo[a]carbazol-11-yl-5-(3-dibenzofuran-3-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375308
4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142570823
4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 142570275
4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane
CID 142569467
9-benzo[c]carbazol-7-yl-7-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[c]carbazole;9-benzo[c]carbazol-7-yl-7-(3-dibenzofuran-4-ylquinoxalin-2-yl)benzo[c]carbazole;9-carbazol-9-yl-7-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[c]carbazole;9-carbazol-9-yl-7-(3-dibenzofuran-4-ylquinoxalin-2-yl)benzo[c]carbazole
CID 163669250
7-[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-7-yl)quinoxalin-2-yl]benzo[c]carbazole
CID 167289441
12-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 166699577
4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142570342

Frequently Asked Questions

What is the IUPAC name of 12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?
The IUPAC name of 12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene (CID 139361745) is 12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene.
What is the SMILES notation for 12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?
The canonical SMILES for 12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene is c1ccc2cc3c(cc2c1)c1ccc2ccccc2c1n3-c1nc2ccccc2nc1-c1cccc2c1oc1ccccc12.
What is the InChIKey of 12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?
The InChIKey is HCLICPLEDRJPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3O/c1-2-12-26-23-35-32(22-25(26)11-1)29-21-20-24-10-3-4-13-27(24)38(29)43(35)40-37(41-33-17-6-7-18-34(33)42-40)31-16-9-15-30-28-14-5-8-19-36(28)44-39(30)31/h1-23H.
What are the key properties of 12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?
12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene has a molecular weight of 561.64 g/mol, XLogP of 10.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene is sourced from PubChem (CID 139361745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).