5-phenyl-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene

C23H15N3 — CID 146300987

IUPAC5-phenyl-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene
SMILESc1ccc(-c2ccc3[nH]c4ccc5nc6ccccc6n5c4c3c2)cc1
InChIInChI=1S/C23H15N3/c1-2-6-15(7-3-1)16-10-11-18-17(14-16)23-20(24-18)12-13-22-25-19-8-4-5-9-21(19)26(22)23/h1-14,24H
InChIKeyOCZVGLGEROMLRD-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.79
Rot. Bonds1

About 5-phenyl-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene

5-phenyl-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene (PubChem CID 146300987) has the molecular formula C23H15N3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-phenyl-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene.

Molecular Properties

Compound Name5-phenyl-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene
PubChem CID146300987
Molecular FormulaC23H15N3
Molecular Weight333.39 g/mol
Exact Mass333.13
IUPAC Name5-phenyl-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene
SMILESc1ccc(-c2ccc3[nH]c4ccc5nc6ccccc6n5c4c3c2)cc1
InChIInChI=1S/C23H15N3/c1-2-6-15(7-3-1)16-10-11-18-17(14-16)23-20(24-18)12-13-22-25-19-8-4-5-9-21(19)26(22)23/h1-14,24H
InChIKeyOCZVGLGEROMLRD-UHFFFAOYSA-N
XLogP5.79
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-phenyl-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene with MolForge

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Related Compounds

3-(3,5-diphenylphenyl)-6-phenyl-9H-carbazole
CID 176723947
2,9-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),3,5,7,9,11,14,16,18,20-decaene
CID 11054668
13-phenyl-3,10,23,30-tetrazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene
CID 138474670
benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole
CID 143905034
9-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396505
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
7-phenyl-4,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),5,7,9,12,15,17,19-nonaene
CID 146301085
N-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 58037906
3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline
CID 164745434
6-phenyl-9H-pyrido[3,4-b]indole
CID 122607643
3-naphthalen-1-yl-6-phenyl-9H-carbazole
CID 118099289
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-oxa-1,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3(8),4,6,11,13,15,17,19,21,23-undecaene
CID 140939656

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene?
The IUPAC name of 5-phenyl-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene (CID 146300987) is 5-phenyl-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene.
What is the SMILES notation for 5-phenyl-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene?
The canonical SMILES for 5-phenyl-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene is c1ccc(-c2ccc3[nH]c4ccc5nc6ccccc6n5c4c3c2)cc1.
What is the InChIKey of 5-phenyl-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene?
The InChIKey is OCZVGLGEROMLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3/c1-2-6-15(7-3-1)16-10-11-18-17(14-16)23-20(24-18)12-13-22-25-19-8-4-5-9-21(19)26(22)23/h1-14,24H.
What are the key properties of 5-phenyl-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene?
5-phenyl-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene has a molecular weight of 333.39 g/mol, XLogP of 5.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,13,15,17,19-nonaene is sourced from PubChem (CID 146300987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).