6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene

C54H31N3O — CID 167285248

IUPAC6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
SMILESc1ccc(C2=C(c3ccccc3)c3cccc4c3c3c5c2cccc5ccc3n4-c2nc(-c3ccc4c(c3)oc3cc5ccccc5cc34)c3ccccc3n2)cc1
InChIInChI=1S/C54H31N3O/c1-3-13-32(14-4-1)48-40-21-11-19-34-26-28-45-52(50(34)40)51-41(49(48)33-15-5-2-6-16-33)22-12-24-44(51)57(45)54-55-43-23-10-9-20-39(43)53(56-54)37-25-27-38-42-29-35-17-7-8-18-36(35)30-47(42)58-46(38)31-37/h1-31H
InChIKeyWOVIMESPVSUJKZ-UHFFFAOYSA-N
MW737.86 g/mol
LogP13.92
Rot. Bonds4

About 6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene

6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene (PubChem CID 167285248) has the molecular formula C54H31N3O and a molecular weight of 737.86 g/mol. Its IUPAC name is 6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene.

Molecular Properties

Compound Name6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
PubChem CID167285248
Molecular FormulaC54H31N3O
Molecular Weight737.86 g/mol
Exact Mass737.25
IUPAC Name6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
SMILESc1ccc(C2=C(c3ccccc3)c3cccc4c3c3c5c2cccc5ccc3n4-c2nc(-c3ccc4c(c3)oc3cc5ccccc5cc34)c3ccccc3n2)cc1
InChIInChI=1S/C54H31N3O/c1-3-13-32(14-4-1)48-40-21-11-19-34-26-28-45-52(50(34)40)51-41(49(48)33-15-5-2-6-16-33)22-12-24-44(51)57(45)54-55-43-23-10-9-20-39(43)53(56-54)37-25-27-38-42-29-35-17-7-8-18-36(35)30-47(42)58-46(38)31-37/h1-31H
InChIKeyWOVIMESPVSUJKZ-UHFFFAOYSA-N
XLogP13.92
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.86
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene with MolForge

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Related Compounds

12-(4-dibenzofuran-3-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139361741
3-dibenzofuran-3-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
CID 167285418
14-(4-dibenzofuran-3-ylquinazolin-2-yl)-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165797
9-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-N,N-diphenylcarbazol-2-amine
CID 156564191
1-chloro-5-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375678
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
23-(4-dibenzofuran-2-ylquinazolin-2-yl)-17-phenyl-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaene
CID 164840647
12-(4-naphtho[2,3-b][1]benzofuran-4-ylquinazolin-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 166511420
23-[4-(9,9-dimethylfluoren-2-yl)quinazolin-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 157051523
8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 142569722
12-(4-dibenzofuran-2-ylquinazolin-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 129149691
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135

Frequently Asked Questions

What is the IUPAC name of 6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene?
The IUPAC name of 6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene (CID 167285248) is 6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene.
What is the SMILES notation for 6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene?
The canonical SMILES for 6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene is c1ccc(C2=C(c3ccccc3)c3cccc4c3c3c5c2cccc5ccc3n4-c2nc(-c3ccc4c(c3)oc3cc5ccccc5cc34)c3ccccc3n2)cc1.
What is the InChIKey of 6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene?
The InChIKey is WOVIMESPVSUJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31N3O/c1-3-13-32(14-4-1)48-40-21-11-19-34-26-28-45-52(50(34)40)51-41(49(48)33-15-5-2-6-16-33)22-12-24-44(51)57(45)54-55-43-23-10-9-20-39(43)53(56-54)37-25-27-38-42-29-35-17-7-8-18-36(35)30-47(42)58-46(38)31-37/h1-31H.
What are the key properties of 6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene?
6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene has a molecular weight of 737.86 g/mol, XLogP of 13.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene is sourced from PubChem (CID 167285248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).