11-(4,6-diphenylquinazolin-2-yl)-9,16-dioxa-11-azapentacyclo[10.7.0.02,10.03,8.013,17]nonadeca-1(12),2(10),3,5,7,13(17),14,18-octaene

C36H21N3O2 — CID 163481081

IUPAC11-(4,6-diphenylquinazolin-2-yl)-9,16-dioxa-11-azapentacyclo[10.7.0.02,10.03,8.013,17]nonadeca-1(12),2(10),3,5,7,13(17),14,18-octaene
SMILESc1ccc(-c2ccc3nc(-n4c5oc6ccccc6c5c5ccc6occc6c54)nc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C36H21N3O2/c1-3-9-22(10-4-1)24-15-17-29-28(21-24)33(23-11-5-2-6-12-23)38-36(37-29)39-34-26-19-20-40-30(26)18-16-27(34)32-25-13-7-8-14-31(25)41-35(32)39/h1-21H
InChIKeyCEOSRIFBFIXUHM-UHFFFAOYSA-N
MW527.58 g/mol
LogP9.55
Rot. Bonds3

About 11-(4,6-diphenylquinazolin-2-yl)-9,16-dioxa-11-azapentacyclo[10.7.0.02,10.03,8.013,17]nonadeca-1(12),2(10),3,5,7,13(17),14,18-octaene

11-(4,6-diphenylquinazolin-2-yl)-9,16-dioxa-11-azapentacyclo[10.7.0.02,10.03,8.013,17]nonadeca-1(12),2(10),3,5,7,13(17),14,18-octaene (PubChem CID 163481081) has the molecular formula C36H21N3O2 and a molecular weight of 527.58 g/mol. Its IUPAC name is 11-(4,6-diphenylquinazolin-2-yl)-9,16-dioxa-11-azapentacyclo[10.7.0.02,10.03,8.013,17]nonadeca-1(12),2(10),3,5,7,13(17),14,18-octaene.

Molecular Properties

Compound Name11-(4,6-diphenylquinazolin-2-yl)-9,16-dioxa-11-azapentacyclo[10.7.0.02,10.03,8.013,17]nonadeca-1(12),2(10),3,5,7,13(17),14,18-octaene
PubChem CID163481081
Molecular FormulaC36H21N3O2
Molecular Weight527.58 g/mol
Exact Mass527.16
IUPAC Name11-(4,6-diphenylquinazolin-2-yl)-9,16-dioxa-11-azapentacyclo[10.7.0.02,10.03,8.013,17]nonadeca-1(12),2(10),3,5,7,13(17),14,18-octaene
SMILESc1ccc(-c2ccc3nc(-n4c5oc6ccccc6c5c5ccc6occc6c54)nc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C36H21N3O2/c1-3-9-22(10-4-1)24-15-17-29-28(21-24)33(23-11-5-2-6-12-23)38-36(37-29)39-34-26-19-20-40-30(26)18-16-27(34)32-25-13-7-8-14-31(25)41-35(32)39/h1-21H
InChIKeyCEOSRIFBFIXUHM-UHFFFAOYSA-N
XLogP9.55
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.58
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-(4,6-diphenylquinazolin-2-yl)-9,16-dioxa-11-azapentacyclo[10.7.0.02,10.03,8.013,17]nonadeca-1(12),2(10),3,5,7,13(17),14,18-octaene with MolForge

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Related Compounds

19-[4-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
CID 164940056
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
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
3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline
CID 147334137
10-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]furo[3,2-a]carbazole
CID 118317554
10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568833
22-(4,6-diphenylquinazolin-2-yl)-3-oxa-22-azahexacyclo[17.2.1.02,10.04,9.012,21.015,20]docosa-1(21),2(10),4,6,8,11,13,15(20),16,18-decaene
CID 130342775
3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-4-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]quinazolin-2-yl]carbazole
CID 126632410
15-(3-phenylphenyl)-24-[4-(4-phenylphenyl)quinazolin-2-yl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 126679387
9-dibenzofuran-2-yl-19-(4-phenylquinazolin-2-yl)-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene
CID 140913947
12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 126679655
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135

Frequently Asked Questions

What is the IUPAC name of 11-(4,6-diphenylquinazolin-2-yl)-9,16-dioxa-11-azapentacyclo[10.7.0.02,10.03,8.013,17]nonadeca-1(12),2(10),3,5,7,13(17),14,18-octaene?
The IUPAC name of 11-(4,6-diphenylquinazolin-2-yl)-9,16-dioxa-11-azapentacyclo[10.7.0.02,10.03,8.013,17]nonadeca-1(12),2(10),3,5,7,13(17),14,18-octaene (CID 163481081) is 11-(4,6-diphenylquinazolin-2-yl)-9,16-dioxa-11-azapentacyclo[10.7.0.02,10.03,8.013,17]nonadeca-1(12),2(10),3,5,7,13(17),14,18-octaene.
What is the SMILES notation for 11-(4,6-diphenylquinazolin-2-yl)-9,16-dioxa-11-azapentacyclo[10.7.0.02,10.03,8.013,17]nonadeca-1(12),2(10),3,5,7,13(17),14,18-octaene?
The canonical SMILES for 11-(4,6-diphenylquinazolin-2-yl)-9,16-dioxa-11-azapentacyclo[10.7.0.02,10.03,8.013,17]nonadeca-1(12),2(10),3,5,7,13(17),14,18-octaene is c1ccc(-c2ccc3nc(-n4c5oc6ccccc6c5c5ccc6occc6c54)nc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 11-(4,6-diphenylquinazolin-2-yl)-9,16-dioxa-11-azapentacyclo[10.7.0.02,10.03,8.013,17]nonadeca-1(12),2(10),3,5,7,13(17),14,18-octaene?
The InChIKey is CEOSRIFBFIXUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N3O2/c1-3-9-22(10-4-1)24-15-17-29-28(21-24)33(23-11-5-2-6-12-23)38-36(37-29)39-34-26-19-20-40-30(26)18-16-27(34)32-25-13-7-8-14-31(25)41-35(32)39/h1-21H.
What are the key properties of 11-(4,6-diphenylquinazolin-2-yl)-9,16-dioxa-11-azapentacyclo[10.7.0.02,10.03,8.013,17]nonadeca-1(12),2(10),3,5,7,13(17),14,18-octaene?
11-(4,6-diphenylquinazolin-2-yl)-9,16-dioxa-11-azapentacyclo[10.7.0.02,10.03,8.013,17]nonadeca-1(12),2(10),3,5,7,13(17),14,18-octaene has a molecular weight of 527.58 g/mol, XLogP of 9.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4,6-diphenylquinazolin-2-yl)-9,16-dioxa-11-azapentacyclo[10.7.0.02,10.03,8.013,17]nonadeca-1(12),2(10),3,5,7,13(17),14,18-octaene is sourced from PubChem (CID 163481081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).