28-(4-phenylquinazolin-2-yl)-16-oxa-1-azanonacyclo[17.12.1.02,7.03,30.08,32.09,17.010,15.020,25.026,31]dotriaconta-2,4,6,8(32),9(17),10,12,14,18,20,22,24,26,28,30-pentadecaene

C44H23N3O — CID 156559914

IUPAC28-(4-phenylquinazolin-2-yl)-16-oxa-1-azanonacyclo[17.12.1.02,7.03,30.08,32.09,17.010,15.020,25.026,31]dotriaconta-2,4,6,8(32),9(17),10,12,14,18,20,22,24,26,28,30-pentadecaene
SMILESc1ccc(-c2nc(-c3cc4c5c(c3)c3cccc6c7c8c(cc(c7n5c36)-c3ccccc3-4)oc3ccccc38)nc3ccccc23)cc1
InChIInChI=1S/C44H23N3O/c1-2-11-24(12-3-1)40-29-15-6-8-19-35(29)45-44(46-40)25-21-32-26-13-4-5-14-27(26)34-23-37-38(30-16-7-9-20-36(30)48-37)39-31-18-10-17-28-33(22-25)42(32)47(41(28)31)43(34)39/h1-23H
InChIKeyOSINLKNSJNNTIF-UHFFFAOYSA-N
MW609.69 g/mol
LogP11.66
Rot. Bonds2

About 28-(4-phenylquinazolin-2-yl)-16-oxa-1-azanonacyclo[17.12.1.02,7.03,30.08,32.09,17.010,15.020,25.026,31]dotriaconta-2,4,6,8(32),9(17),10,12,14,18,20,22,24,26,28,30-pentadecaene

28-(4-phenylquinazolin-2-yl)-16-oxa-1-azanonacyclo[17.12.1.02,7.03,30.08,32.09,17.010,15.020,25.026,31]dotriaconta-2,4,6,8(32),9(17),10,12,14,18,20,22,24,26,28,30-pentadecaene (PubChem CID 156559914) has the molecular formula C44H23N3O and a molecular weight of 609.69 g/mol. Its IUPAC name is 28-(4-phenylquinazolin-2-yl)-16-oxa-1-azanonacyclo[17.12.1.02,7.03,30.08,32.09,17.010,15.020,25.026,31]dotriaconta-2,4,6,8(32),9(17),10,12,14,18,20,22,24,26,28,30-pentadecaene.

Molecular Properties

Compound Name28-(4-phenylquinazolin-2-yl)-16-oxa-1-azanonacyclo[17.12.1.02,7.03,30.08,32.09,17.010,15.020,25.026,31]dotriaconta-2,4,6,8(32),9(17),10,12,14,18,20,22,24,26,28,30-pentadecaene
PubChem CID156559914
Molecular FormulaC44H23N3O
Molecular Weight609.69 g/mol
Exact Mass609.18
IUPAC Name28-(4-phenylquinazolin-2-yl)-16-oxa-1-azanonacyclo[17.12.1.02,7.03,30.08,32.09,17.010,15.020,25.026,31]dotriaconta-2,4,6,8(32),9(17),10,12,14,18,20,22,24,26,28,30-pentadecaene
SMILESc1ccc(-c2nc(-c3cc4c5c(c3)c3cccc6c7c8c(cc(c7n5c36)-c3ccccc3-4)oc3ccccc38)nc3ccccc23)cc1
InChIInChI=1S/C44H23N3O/c1-2-11-24(12-3-1)40-29-15-6-8-19-35(29)45-44(46-40)25-21-32-26-13-4-5-14-27(26)34-23-37-38(30-16-7-9-20-36(30)48-37)39-31-18-10-17-28-33(22-25)42(32)47(41(28)31)43(34)39/h1-23H
InChIKeyOSINLKNSJNNTIF-UHFFFAOYSA-N
XLogP11.66
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.69
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 28-(4-phenylquinazolin-2-yl)-16-oxa-1-azanonacyclo[17.12.1.02,7.03,30.08,32.09,17.010,15.020,25.026,31]dotriaconta-2,4,6,8(32),9(17),10,12,14,18,20,22,24,26,28,30-pentadecaene with MolForge

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Related Compounds

2-phenyl-14-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 148709176
14-phenyl-2-[4-(2-phenylquinazolin-4-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246719
14-phenyl-2-[4-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 147432841
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
2-phenyl-14-[4-[3-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246465
4-phenyl-2-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122628828
14-phenyl-2-[4-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-phenyl-2-[4-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-phenyl-2-[4-[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 159236569
7-(4-dibenzofuran-1-ylphenyl)-2,4-diphenylquinazoline
CID 146353553
2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenylquinazoline
CID 155473673
11-[2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513198
14-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-yl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 148877973
17-(4-dibenzofuran-1-ylquinazolin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 164757148

Frequently Asked Questions

What is the IUPAC name of 28-(4-phenylquinazolin-2-yl)-16-oxa-1-azanonacyclo[17.12.1.02,7.03,30.08,32.09,17.010,15.020,25.026,31]dotriaconta-2,4,6,8(32),9(17),10,12,14,18,20,22,24,26,28,30-pentadecaene?
The IUPAC name of 28-(4-phenylquinazolin-2-yl)-16-oxa-1-azanonacyclo[17.12.1.02,7.03,30.08,32.09,17.010,15.020,25.026,31]dotriaconta-2,4,6,8(32),9(17),10,12,14,18,20,22,24,26,28,30-pentadecaene (CID 156559914) is 28-(4-phenylquinazolin-2-yl)-16-oxa-1-azanonacyclo[17.12.1.02,7.03,30.08,32.09,17.010,15.020,25.026,31]dotriaconta-2,4,6,8(32),9(17),10,12,14,18,20,22,24,26,28,30-pentadecaene.
What is the SMILES notation for 28-(4-phenylquinazolin-2-yl)-16-oxa-1-azanonacyclo[17.12.1.02,7.03,30.08,32.09,17.010,15.020,25.026,31]dotriaconta-2,4,6,8(32),9(17),10,12,14,18,20,22,24,26,28,30-pentadecaene?
The canonical SMILES for 28-(4-phenylquinazolin-2-yl)-16-oxa-1-azanonacyclo[17.12.1.02,7.03,30.08,32.09,17.010,15.020,25.026,31]dotriaconta-2,4,6,8(32),9(17),10,12,14,18,20,22,24,26,28,30-pentadecaene is c1ccc(-c2nc(-c3cc4c5c(c3)c3cccc6c7c8c(cc(c7n5c36)-c3ccccc3-4)oc3ccccc38)nc3ccccc23)cc1.
What is the InChIKey of 28-(4-phenylquinazolin-2-yl)-16-oxa-1-azanonacyclo[17.12.1.02,7.03,30.08,32.09,17.010,15.020,25.026,31]dotriaconta-2,4,6,8(32),9(17),10,12,14,18,20,22,24,26,28,30-pentadecaene?
The InChIKey is OSINLKNSJNNTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H23N3O/c1-2-11-24(12-3-1)40-29-15-6-8-19-35(29)45-44(46-40)25-21-32-26-13-4-5-14-27(26)34-23-37-38(30-16-7-9-20-36(30)48-37)39-31-18-10-17-28-33(22-25)42(32)47(41(28)31)43(34)39/h1-23H.
What are the key properties of 28-(4-phenylquinazolin-2-yl)-16-oxa-1-azanonacyclo[17.12.1.02,7.03,30.08,32.09,17.010,15.020,25.026,31]dotriaconta-2,4,6,8(32),9(17),10,12,14,18,20,22,24,26,28,30-pentadecaene?
28-(4-phenylquinazolin-2-yl)-16-oxa-1-azanonacyclo[17.12.1.02,7.03,30.08,32.09,17.010,15.020,25.026,31]dotriaconta-2,4,6,8(32),9(17),10,12,14,18,20,22,24,26,28,30-pentadecaene has a molecular weight of 609.69 g/mol, XLogP of 11.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 28-(4-phenylquinazolin-2-yl)-16-oxa-1-azanonacyclo[17.12.1.02,7.03,30.08,32.09,17.010,15.020,25.026,31]dotriaconta-2,4,6,8(32),9(17),10,12,14,18,20,22,24,26,28,30-pentadecaene is sourced from PubChem (CID 156559914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).