5,6,9-triphenyl-19-(4-triphenylen-2-ylphenyl)-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaene

C57H36N4 — CID 144645993

IUPAC5,6,9-triphenyl-19-(4-triphenylen-2-ylphenyl)-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaene
SMILESc1ccc(-c2nc3c(c4cc5c(cc4n3-c3ccccc3)c3ccccc3n5-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2-c2ccccc2)cc1
InChIInChI=1S/C57H36N4/c1-4-16-38(17-5-1)56-58-57-55(61(56)41-20-8-3-9-21-41)51-36-53-50(35-54(51)60(57)40-18-6-2-7-19-40)48-26-14-15-27-52(48)59(53)42-31-28-37(29-32-42)39-30-33-47-45-24-11-10-22-43(45)44-23-12-13-25-46(44)49(47)34-39/h1-36H
InChIKeyFZMKBLZGGZNFTR-UHFFFAOYSA-N
MW776.94 g/mol
LogP14.86
Rot. Bonds5

About 5,6,9-triphenyl-19-(4-triphenylen-2-ylphenyl)-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaene

5,6,9-triphenyl-19-(4-triphenylen-2-ylphenyl)-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaene (PubChem CID 144645993) has the molecular formula C57H36N4 and a molecular weight of 776.94 g/mol. Its IUPAC name is 5,6,9-triphenyl-19-(4-triphenylen-2-ylphenyl)-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaene.

Molecular Properties

Compound Name5,6,9-triphenyl-19-(4-triphenylen-2-ylphenyl)-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaene
PubChem CID144645993
Molecular FormulaC57H36N4
Molecular Weight776.94 g/mol
Exact Mass776.29
IUPAC Name5,6,9-triphenyl-19-(4-triphenylen-2-ylphenyl)-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaene
SMILESc1ccc(-c2nc3c(c4cc5c(cc4n3-c3ccccc3)c3ccccc3n5-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2-c2ccccc2)cc1
InChIInChI=1S/C57H36N4/c1-4-16-38(17-5-1)56-58-57-55(61(56)41-20-8-3-9-21-41)51-36-53-50(35-54(51)60(57)40-18-6-2-7-19-40)48-26-14-15-27-52(48)59(53)42-31-28-37(29-32-42)39-30-33-47-45-24-11-10-22-43(45)44-23-12-13-25-46(44)49(47)34-39/h1-36H
InChIKeyFZMKBLZGGZNFTR-UHFFFAOYSA-N
XLogP14.86
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.94
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5,6,9-triphenyl-19-(4-triphenylen-2-ylphenyl)-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaene with MolForge

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Related Compounds

23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 89417795
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
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6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
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3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
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2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
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5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
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2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
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Frequently Asked Questions

What is the IUPAC name of 5,6,9-triphenyl-19-(4-triphenylen-2-ylphenyl)-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaene?
The IUPAC name of 5,6,9-triphenyl-19-(4-triphenylen-2-ylphenyl)-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaene (CID 144645993) is 5,6,9-triphenyl-19-(4-triphenylen-2-ylphenyl)-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaene.
What is the SMILES notation for 5,6,9-triphenyl-19-(4-triphenylen-2-ylphenyl)-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaene?
The canonical SMILES for 5,6,9-triphenyl-19-(4-triphenylen-2-ylphenyl)-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaene is c1ccc(-c2nc3c(c4cc5c(cc4n3-c3ccccc3)c3ccccc3n5-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2-c2ccccc2)cc1.
What is the InChIKey of 5,6,9-triphenyl-19-(4-triphenylen-2-ylphenyl)-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaene?
The InChIKey is FZMKBLZGGZNFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4/c1-4-16-38(17-5-1)56-58-57-55(61(56)41-20-8-3-9-21-41)51-36-53-50(35-54(51)60(57)40-18-6-2-7-19-40)48-26-14-15-27-52(48)59(53)42-31-28-37(29-32-42)39-30-33-47-45-24-11-10-22-43(45)44-23-12-13-25-46(44)49(47)34-39/h1-36H.
What are the key properties of 5,6,9-triphenyl-19-(4-triphenylen-2-ylphenyl)-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaene?
5,6,9-triphenyl-19-(4-triphenylen-2-ylphenyl)-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaene has a molecular weight of 776.94 g/mol, XLogP of 14.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,9-triphenyl-19-(4-triphenylen-2-ylphenyl)-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaene is sourced from PubChem (CID 144645993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).