11-(2-phenylquinazolin-4-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene

C29H17N5O — CID 155006123

IUPAC11-(2-phenylquinazolin-4-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene
SMILESc1ccc(-c2nc(-n3c4oc5ccccc5c4n4c5ccccc5nc34)c3ccccc3n2)cc1
InChIInChI=1S/C29H17N5O/c1-2-10-18(11-3-1)26-30-21-14-6-4-12-19(21)27(32-26)34-28-25(20-13-5-9-17-24(20)35-28)33-23-16-8-7-15-22(23)31-29(33)34/h1-17H
InChIKeyKQOKEXOJZYUGQU-UHFFFAOYSA-N
MW451.49 g/mol
LogP6.79
Rot. Bonds2

About 11-(2-phenylquinazolin-4-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene

11-(2-phenylquinazolin-4-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene (PubChem CID 155006123) has the molecular formula C29H17N5O and a molecular weight of 451.49 g/mol. Its IUPAC name is 11-(2-phenylquinazolin-4-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene.

Molecular Properties

Compound Name11-(2-phenylquinazolin-4-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene
PubChem CID155006123
Molecular FormulaC29H17N5O
Molecular Weight451.49 g/mol
Exact Mass451.14
IUPAC Name11-(2-phenylquinazolin-4-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene
SMILESc1ccc(-c2nc(-n3c4oc5ccccc5c4n4c5ccccc5nc34)c3ccccc3n2)cc1
InChIInChI=1S/C29H17N5O/c1-2-10-18(11-3-1)26-30-21-14-6-4-12-19(21)27(32-26)34-28-25(20-13-5-9-17-24(20)35-28)33-23-16-8-7-15-22(23)31-29(33)34/h1-17H
InChIKeyKQOKEXOJZYUGQU-UHFFFAOYSA-N
XLogP6.79
TPSA61.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.49
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-(2-phenylquinazolin-4-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene with MolForge

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Related Compounds

11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene
CID 154646924
11-(3-triphenylen-2-ylphenyl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene
CID 154646751
16-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14(19),15,17-octaene
CID 154646603
5-(2-phenylquinazolin-4-yl)benzimidazolo[1,2-a]quinoxalin-6-one
CID 146639211
6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene
CID 154646963
2-dibenzofuran-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 138463178
13-phenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 154646637
19-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene
CID 154646439
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzimidazolo[1,2-a]benzimidazol-1-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 176871141
9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
CID 129128192
9-(2-dibenzofuran-2-ylquinazolin-4-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene
CID 144696848
5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 135248630

Frequently Asked Questions

What is the IUPAC name of 11-(2-phenylquinazolin-4-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene?
The IUPAC name of 11-(2-phenylquinazolin-4-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene (CID 155006123) is 11-(2-phenylquinazolin-4-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene.
What is the SMILES notation for 11-(2-phenylquinazolin-4-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene?
The canonical SMILES for 11-(2-phenylquinazolin-4-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene is c1ccc(-c2nc(-n3c4oc5ccccc5c4n4c5ccccc5nc34)c3ccccc3n2)cc1.
What is the InChIKey of 11-(2-phenylquinazolin-4-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene?
The InChIKey is KQOKEXOJZYUGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17N5O/c1-2-10-18(11-3-1)26-30-21-14-6-4-12-19(21)27(32-26)34-28-25(20-13-5-9-17-24(20)35-28)33-23-16-8-7-15-22(23)31-29(33)34/h1-17H.
What are the key properties of 11-(2-phenylquinazolin-4-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene?
11-(2-phenylquinazolin-4-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene has a molecular weight of 451.49 g/mol, XLogP of 6.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-phenylquinazolin-4-yl)-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene is sourced from PubChem (CID 155006123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).