8-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,16-diphenyl-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene

C51H30N4O — CID 134605205

IUPAC8-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,16-diphenyl-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene
SMILESc1ccc(-c2ccc3c(c2)-c2nc4ccc(-c5ccccc5)cc4c4cccc(c24)N3c2nc(-c3cccc4c3oc3ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C51H30N4O/c1-3-13-31(14-4-1)33-25-27-43-40(29-33)36-19-12-23-45-47(36)49(52-43)41-30-34(32-15-5-2-6-16-32)26-28-44(41)55(45)51-53-42-22-9-7-18-38(42)48(54-51)39-21-11-20-37-35-17-8-10-24-46(35)56-50(37)39/h1-30H
InChIKeyQMSSHRDRUPINGW-UHFFFAOYSA-N
MW714.83 g/mol
LogP13.68
Rot. Bonds4

About 8-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,16-diphenyl-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene

8-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,16-diphenyl-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene (PubChem CID 134605205) has the molecular formula C51H30N4O and a molecular weight of 714.83 g/mol. Its IUPAC name is 8-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,16-diphenyl-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene.

Molecular Properties

Compound Name8-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,16-diphenyl-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene
PubChem CID134605205
Molecular FormulaC51H30N4O
Molecular Weight714.83 g/mol
Exact Mass714.24
IUPAC Name8-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,16-diphenyl-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene
SMILESc1ccc(-c2ccc3c(c2)-c2nc4ccc(-c5ccccc5)cc4c4cccc(c24)N3c2nc(-c3cccc4c3oc3ccccc34)c3ccccc3n2)cc1
InChIInChI=1S/C51H30N4O/c1-3-13-31(14-4-1)33-25-27-43-40(29-33)36-19-12-23-45-47(36)49(52-43)41-30-34(32-15-5-2-6-16-32)26-28-44(41)55(45)51-53-42-22-9-7-18-38(42)48(54-51)39-21-11-20-37-35-17-8-10-24-46(35)56-50(37)39/h1-30H
InChIKeyQMSSHRDRUPINGW-UHFFFAOYSA-N
XLogP13.68
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.83
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,16-diphenyl-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene with MolForge

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Related Compounds

8-(4-dibenzofuran-1-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-2-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(4-dibenzofuran-3-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 158048904
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole
CID 130327449
12-(4-dibenzofuran-1-ylquinazolin-2-yl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaene
CID 149123745
8-[4-(4-methylphenyl)quinazolin-2-yl]-16-oxa-8-azahexacyclo[11.10.1.02,7.09,24.015,23.017,22]tetracosa-1(24),2,4,6,9,11,13,15(23),17,19,21-undecaene
CID 145313546
12-[1-(4-dibenzofuran-4-ylquinazolin-2-yl)naphthalen-2-yl]-12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaene
CID 155788761
2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167348928
6-[3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 155018769
3-phenyl-5-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 118283324
9-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149709
20-phenyl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 129292575
11-dibenzofuran-4-yl-4,18-diphenyl-8,14-bis(4-phenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 164941566
8-(3-dibenzofuran-1-ylquinoxalin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(3-dibenzofuran-2-ylquinoxalin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(3-dibenzofuran-3-ylquinoxalin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-(3-dibenzofuran-4-ylquinoxalin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 160982268

Frequently Asked Questions

What is the IUPAC name of 8-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,16-diphenyl-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene?
The IUPAC name of 8-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,16-diphenyl-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene (CID 134605205) is 8-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,16-diphenyl-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene.
What is the SMILES notation for 8-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,16-diphenyl-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene?
The canonical SMILES for 8-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,16-diphenyl-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene is c1ccc(-c2ccc3c(c2)-c2nc4ccc(-c5ccccc5)cc4c4cccc(c24)N3c2nc(-c3cccc4c3oc3ccccc34)c3ccccc3n2)cc1.
What is the InChIKey of 8-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,16-diphenyl-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene?
The InChIKey is QMSSHRDRUPINGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O/c1-3-13-31(14-4-1)33-25-27-43-40(29-33)36-19-12-23-45-47(36)49(52-43)41-30-34(32-15-5-2-6-16-32)26-28-44(41)55(45)51-53-42-22-9-7-18-38(42)48(54-51)39-21-11-20-37-35-17-8-10-24-46(35)56-50(37)39/h1-30H.
What are the key properties of 8-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,16-diphenyl-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene?
8-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,16-diphenyl-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene has a molecular weight of 714.83 g/mol, XLogP of 13.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-dibenzofuran-4-ylquinazolin-2-yl)-4,16-diphenyl-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene is sourced from PubChem (CID 134605205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).