5-(8-dibenzofuran-1-yldibenzofuran-1-yl)-3-phenyl-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene

C47H26N4O2 — CID 163388324

IUPAC5-(8-dibenzofuran-1-yldibenzofuran-1-yl)-3-phenyl-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
SMILESc1ccc(-c2nc(-c3cccc4oc5ccc(-c6cccc7oc8ccccc8c67)cc5c34)nc3c4ccccc4n4c5ccccc5nc4c23)cc1
InChIInChI=1S/C47H26N4O2/c1-2-12-27(13-3-1)44-43-45(30-14-4-7-19-35(30)51-36-20-8-6-18-34(36)48-47(43)51)50-46(49-44)32-17-11-23-40-42(32)33-26-28(24-25-38(33)53-40)29-16-10-22-39-41(29)31-15-5-9-21-37(31)52-39/h1-26H
InChIKeyJTASWARXUJTZCX-UHFFFAOYSA-N
MW678.75 g/mol
LogP12.38
Rot. Bonds3

About 5-(8-dibenzofuran-1-yldibenzofuran-1-yl)-3-phenyl-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene

5-(8-dibenzofuran-1-yldibenzofuran-1-yl)-3-phenyl-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene (PubChem CID 163388324) has the molecular formula C47H26N4O2 and a molecular weight of 678.75 g/mol. Its IUPAC name is 5-(8-dibenzofuran-1-yldibenzofuran-1-yl)-3-phenyl-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene.

Molecular Properties

Compound Name5-(8-dibenzofuran-1-yldibenzofuran-1-yl)-3-phenyl-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
PubChem CID163388324
Molecular FormulaC47H26N4O2
Molecular Weight678.75 g/mol
Exact Mass678.21
IUPAC Name5-(8-dibenzofuran-1-yldibenzofuran-1-yl)-3-phenyl-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
SMILESc1ccc(-c2nc(-c3cccc4oc5ccc(-c6cccc7oc8ccccc8c67)cc5c34)nc3c4ccccc4n4c5ccccc5nc4c23)cc1
InChIInChI=1S/C47H26N4O2/c1-2-12-27(13-3-1)44-43-45(30-14-4-7-19-35(30)51-36-20-8-6-18-34(36)48-47(43)51)50-46(49-44)32-17-11-23-40-42(32)33-26-28(24-25-38(33)53-40)29-16-10-22-39-41(29)31-15-5-9-21-37(31)52-39/h1-26H
InChIKeyJTASWARXUJTZCX-UHFFFAOYSA-N
XLogP12.38
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.75
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(8-dibenzofuran-1-yldibenzofuran-1-yl)-3-phenyl-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-dibenzofuran-1-yl-5-phenyl-3,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 163388308
3-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 163388243
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742506
9-[4-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358426
8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 148990639
10-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
CID 163472733
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
4-phenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 177129873
4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 170366972
2-dibenzofuran-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198755
1-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768360
8-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 170947083

Frequently Asked Questions

What is the IUPAC name of 5-(8-dibenzofuran-1-yldibenzofuran-1-yl)-3-phenyl-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?
The IUPAC name of 5-(8-dibenzofuran-1-yldibenzofuran-1-yl)-3-phenyl-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene (CID 163388324) is 5-(8-dibenzofuran-1-yldibenzofuran-1-yl)-3-phenyl-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene.
What is the SMILES notation for 5-(8-dibenzofuran-1-yldibenzofuran-1-yl)-3-phenyl-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?
The canonical SMILES for 5-(8-dibenzofuran-1-yldibenzofuran-1-yl)-3-phenyl-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene is c1ccc(-c2nc(-c3cccc4oc5ccc(-c6cccc7oc8ccccc8c67)cc5c34)nc3c4ccccc4n4c5ccccc5nc4c23)cc1.
What is the InChIKey of 5-(8-dibenzofuran-1-yldibenzofuran-1-yl)-3-phenyl-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?
The InChIKey is JTASWARXUJTZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H26N4O2/c1-2-12-27(13-3-1)44-43-45(30-14-4-7-19-35(30)51-36-20-8-6-18-34(36)48-47(43)51)50-46(49-44)32-17-11-23-40-42(32)33-26-28(24-25-38(33)53-40)29-16-10-22-39-41(29)31-15-5-9-21-37(31)52-39/h1-26H.
What are the key properties of 5-(8-dibenzofuran-1-yldibenzofuran-1-yl)-3-phenyl-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene?
5-(8-dibenzofuran-1-yldibenzofuran-1-yl)-3-phenyl-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene has a molecular weight of 678.75 g/mol, XLogP of 12.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-dibenzofuran-1-yldibenzofuran-1-yl)-3-phenyl-4,6,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene is sourced from PubChem (CID 163388324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).