20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

C23H15N3 — CID 166015522

IUPAC20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
SMILESc1ccc(-n2c3ccccc3c3cc4[nH]c5ncccc5c4cc32)cc1
InChIInChI=1S/C23H15N3/c1-2-7-15(8-3-1)26-21-11-5-4-9-16(21)19-13-20-18(14-22(19)26)17-10-6-12-24-23(17)25-20/h1-14H,(H,24,25)
InChIKeyYTSNLYRHPYAIHS-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.81
Rot. Bonds1

About 20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (PubChem CID 166015522) has the molecular formula C23H15N3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.

Molecular Properties

Compound Name20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
PubChem CID166015522
Molecular FormulaC23H15N3
Molecular Weight333.39 g/mol
Exact Mass333.13
IUPAC Name20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
SMILESc1ccc(-n2c3ccccc3c3cc4[nH]c5ncccc5c4cc32)cc1
InChIInChI=1S/C23H15N3/c1-2-7-15(8-3-1)26-21-11-5-4-9-16(21)19-13-20-18(14-22(19)26)17-10-6-12-24-23(17)25-20/h1-14H,(H,24,25)
InChIKeyYTSNLYRHPYAIHS-UHFFFAOYSA-N
XLogP5.81
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene with MolForge

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Related Compounds

11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 139504800
23-phenyl-6,9,23-triazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene
CID 140956768
ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole
CID 123300627
23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 140956310
12-phenyl-22-pyridin-2-yl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464990
13,30,47-triphenyl-3,13,20,30,37,47-hexazatridecacyclo[34.15.0.02,18.04,16.06,14.07,12.019,35.021,33.023,31.024,29.038,50.040,48.041,46]henpentaconta-1,4(16),5,7,9,11,14,18,21(33),22,24,26,28,31,35,38(50),39,41,43,45,48-henicosaene-17,34,51-trione
CID 142384549
6-chloro-9-phenylpyrido[2,3-b]indole;6-chloro-9H-pyrido[2,3-b]indole;iodobenzene
CID 160542805
5-phenyl-11-pyrido[2,3-d]pyrimidin-4-ylindolo[3,2-b]carbazole
CID 145010179
22-pyridin-3-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 146555319
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
2-(1H-imidazo[4,5-b]pyridin-2-yl)-9-phenylcarbazole
CID 162470933
11-phenyl-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaen-16-one
CID 168933239

Frequently Asked Questions

What is the IUPAC name of 20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The IUPAC name of 20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (CID 166015522) is 20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.
What is the SMILES notation for 20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The canonical SMILES for 20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is c1ccc(-n2c3ccccc3c3cc4[nH]c5ncccc5c4cc32)cc1.
What is the InChIKey of 20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The InChIKey is YTSNLYRHPYAIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3/c1-2-7-15(8-3-1)26-21-11-5-4-9-16(21)19-13-20-18(14-22(19)26)17-10-6-12-24-23(17)25-20/h1-14H,(H,24,25).
What are the key properties of 20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene has a molecular weight of 333.39 g/mol, XLogP of 5.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is sourced from PubChem (CID 166015522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).