14-methyl-8-phenyl-12-oxa-8,10,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene

C19H13N3O — CID 15939264

IUPAC14-methyl-8-phenyl-12-oxa-8,10,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene
SMILESCc1noc2nc3c(cc12)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C19H13N3O/c1-12-15-11-16-14-9-5-6-10-17(14)22(13-7-3-2-4-8-13)18(16)20-19(15)23-21-12/h2-11H,1H3
InChIKeyDRTOXILBQUAXBN-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.63
Rot. Bonds1

About 14-methyl-8-phenyl-12-oxa-8,10,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene

14-methyl-8-phenyl-12-oxa-8,10,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene (PubChem CID 15939264) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 14-methyl-8-phenyl-12-oxa-8,10,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene.

Molecular Properties

Compound Name14-methyl-8-phenyl-12-oxa-8,10,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene
PubChem CID15939264
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name14-methyl-8-phenyl-12-oxa-8,10,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene
SMILESCc1noc2nc3c(cc12)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C19H13N3O/c1-12-15-11-16-14-9-5-6-10-17(14)22(13-7-3-2-4-8-13)18(16)20-19(15)23-21-12/h2-11H,1H3
InChIKeyDRTOXILBQUAXBN-UHFFFAOYSA-N
XLogP4.63
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-methyl-8-phenyl-12-oxa-8,10,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene with MolForge

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Related Compounds

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CID 59552741
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3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
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CID 123396312
7,17-diphenyl-7,17,22,29-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30,32,34-hexadecaene
CID 140956548
16-(3-carbazol-9-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 155465799
22-[4-[4,6-bis[4-(5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaen-22-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaene
CID 88949847
2-methyl-7-(4-methylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 71140488
7-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 118502665

Frequently Asked Questions

What is the IUPAC name of 14-methyl-8-phenyl-12-oxa-8,10,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene?
The IUPAC name of 14-methyl-8-phenyl-12-oxa-8,10,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene (CID 15939264) is 14-methyl-8-phenyl-12-oxa-8,10,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene.
What is the SMILES notation for 14-methyl-8-phenyl-12-oxa-8,10,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene?
The canonical SMILES for 14-methyl-8-phenyl-12-oxa-8,10,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene is Cc1noc2nc3c(cc12)c1ccccc1n3-c1ccccc1.
What is the InChIKey of 14-methyl-8-phenyl-12-oxa-8,10,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene?
The InChIKey is DRTOXILBQUAXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c1-12-15-11-16-14-9-5-6-10-17(14)22(13-7-3-2-4-8-13)18(16)20-19(15)23-21-12/h2-11H,1H3.
What are the key properties of 14-methyl-8-phenyl-12-oxa-8,10,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene?
14-methyl-8-phenyl-12-oxa-8,10,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene has a molecular weight of 299.33 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-8-phenyl-12-oxa-8,10,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene is sourced from PubChem (CID 15939264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).