19-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-methyl-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene

C59H37N3O — CID 142569030

IUPAC19-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-methyl-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
SMILESCc1ccc2c3ccccc3c3c4cccc(-c5cccc(-c6cccc(-c7cccc8oc9ccccc9c78)c6)c5)c4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c2c1
InChIInChI=1S/C59H37N3O/c1-36-31-32-45-44-21-5-6-22-46(44)55-49-27-13-26-43(57(49)62(58(55)50(45)33-36)59-60-51-28-9-7-23-47(51)56(61-59)37-15-3-2-4-16-37)41-20-12-18-39(35-41)38-17-11-19-40(34-38)42-25-14-30-53-54(42)48-24-8-10-29-52(48)63-53/h2-35H,1H3
InChIKeyCSIVDRFHNMXFGC-UHFFFAOYSA-N
MW803.97 g/mol
LogP15.91
Rot. Bonds5

About 19-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-methyl-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene

19-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-methyl-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene (PubChem CID 142569030) has the molecular formula C59H37N3O and a molecular weight of 803.97 g/mol. Its IUPAC name is 19-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-methyl-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene.

Molecular Properties

Compound Name19-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-methyl-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
PubChem CID142569030
Molecular FormulaC59H37N3O
Molecular Weight803.97 g/mol
Exact Mass803.29
IUPAC Name19-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-methyl-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
SMILESCc1ccc2c3ccccc3c3c4cccc(-c5cccc(-c6cccc(-c7cccc8oc9ccccc9c78)c6)c5)c4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c2c1
InChIInChI=1S/C59H37N3O/c1-36-31-32-45-44-21-5-6-22-46(44)55-49-27-13-26-43(57(49)62(58(55)50(45)33-36)59-60-51-28-9-7-23-47(51)56(61-59)37-15-3-2-4-16-37)41-20-12-18-39(35-41)38-17-11-19-40(34-38)42-25-14-30-53-54(42)48-24-8-10-29-52(48)63-53/h2-35H,1H3
InChIKeyCSIVDRFHNMXFGC-UHFFFAOYSA-N
XLogP15.91
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.97
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 19-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-methyl-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene with MolForge

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Related Compounds

4-(3-dibenzofuran-1-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568029
18-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 138475063
18-(9-methyldibenzofuran-2-yl)-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 139421573
10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568833
19-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142568396
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568640
19-dibenzofuran-3-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142571840
5,20-dimethyl-24-(4-phenylquinazolin-2-yl)-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene
CID 146214208
4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568017
19-dibenzofuran-1-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142571311
18-[8-(7-phenylbenzo[c]carbazol-10-yl)dibenzofuran-1-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 138475167
10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142570112

Frequently Asked Questions

What is the IUPAC name of 19-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-methyl-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene?
The IUPAC name of 19-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-methyl-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene (CID 142569030) is 19-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-methyl-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene.
What is the SMILES notation for 19-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-methyl-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene?
The canonical SMILES for 19-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-methyl-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene is Cc1ccc2c3ccccc3c3c4cccc(-c5cccc(-c6cccc(-c7cccc8oc9ccccc9c78)c6)c5)c4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c2c1.
What is the InChIKey of 19-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-methyl-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene?
The InChIKey is CSIVDRFHNMXFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3O/c1-36-31-32-45-44-21-5-6-22-46(44)55-49-27-13-26-43(57(49)62(58(55)50(45)33-36)59-60-51-28-9-7-23-47(51)56(61-59)37-15-3-2-4-16-37)41-20-12-18-39(35-41)38-17-11-19-40(34-38)42-25-14-30-53-54(42)48-24-8-10-29-52(48)63-53/h2-35H,1H3.
What are the key properties of 19-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-methyl-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene?
19-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-methyl-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene has a molecular weight of 803.97 g/mol, XLogP of 15.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-methyl-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene is sourced from PubChem (CID 142569030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).