9-phenyl-9,15,16,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

C22H14N4 — CID 139524819

IUPAC9-phenyl-9,15,16,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
SMILESc1ccc(-n2c3ccccc3c3c4[nH]c5ccnnc5c4ccc32)cc1
InChIInChI=1S/C22H14N4/c1-2-6-14(7-3-1)26-18-9-5-4-8-15(18)20-19(26)11-10-16-21-17(24-22(16)20)12-13-23-25-21/h1-13,24H
InChIKeyQEVNXLWNRDJGDH-UHFFFAOYSA-N
MW334.38 g/mol
LogP5.21
Rot. Bonds1

About 9-phenyl-9,15,16,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

9-phenyl-9,15,16,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (PubChem CID 139524819) has the molecular formula C22H14N4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 9-phenyl-9,15,16,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.

Molecular Properties

Compound Name9-phenyl-9,15,16,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
PubChem CID139524819
Molecular FormulaC22H14N4
Molecular Weight334.38 g/mol
Exact Mass334.12
IUPAC Name9-phenyl-9,15,16,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
SMILESc1ccc(-n2c3ccccc3c3c4[nH]c5ccnnc5c4ccc32)cc1
InChIInChI=1S/C22H14N4/c1-2-6-14(7-3-1)26-18-9-5-4-8-15(18)20-19(26)11-10-16-21-17(24-22(16)20)12-13-23-25-21/h1-13,24H
InChIKeyQEVNXLWNRDJGDH-UHFFFAOYSA-N
XLogP5.21
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.38
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-phenyl-9,15,16,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene with MolForge

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Related Compounds

1,1'-biphenyl;5-[3-(3-phenylphenyl)phenyl]-12H-indolo[3,2-c]carbazole
CID 142615329
14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4,5,9,14-tetrazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 139524748
9-phenyl-14-[10-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)anthracen-9-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170394033
9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118509099
5-(2,3,4,5,6-pentadeuteriophenyl)-12H-indolo[3,2-c]carbazole
CID 142619140
9-phenyl-14-pyrimidin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038360
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
diphenyl-(9-phenylcarbazol-3-yl)-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]silane;molecular hydrogen;5-phenyl-12H-indolo[3,2-c]carbazole
CID 158679994
9,15-diphenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 122464932
9-phenyl-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038408
9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 139336780
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-9,15,16,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The IUPAC name of 9-phenyl-9,15,16,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (CID 139524819) is 9-phenyl-9,15,16,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.
What is the SMILES notation for 9-phenyl-9,15,16,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The canonical SMILES for 9-phenyl-9,15,16,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is c1ccc(-n2c3ccccc3c3c4[nH]c5ccnnc5c4ccc32)cc1.
What is the InChIKey of 9-phenyl-9,15,16,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The InChIKey is QEVNXLWNRDJGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4/c1-2-6-14(7-3-1)26-18-9-5-4-8-15(18)20-19(26)11-10-16-21-17(24-22(16)20)12-13-23-25-21/h1-13,24H.
What are the key properties of 9-phenyl-9,15,16,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
9-phenyl-9,15,16,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene has a molecular weight of 334.38 g/mol, XLogP of 5.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-9,15,16,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is sourced from PubChem (CID 139524819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).