6-phenyl-13-[7-(10-phenylphenazin-5-yl)phenanthren-2-yl]-17-pyridin-4-yl-6,13,17-triazaoctacyclo[21.6.2.02,18.03,16.05,14.07,12.020,30.027,31]hentriaconta-1(30),2(18),3,5(14),7,9,11,15,19,21,23(31),24,26,28-tetradecaene

C71H44N6 — CID 146213255

About 6-phenyl-13-[7-(10-phenylphenazin-5-yl)phenanthren-2-yl]-17-pyridin-4-yl-6,13,17-triazaoctacyclo[21.6.2.02,18.03,16.05,14.07,12.020,30.027,31]hentriaconta-1(30),2(18),3,5(14),7,9,11,15,19,21,23(31),24,26,28-tetradecaene

6-phenyl-13-[7-(10-phenylphenazin-5-yl)phenanthren-2-yl]-17-pyridin-4-yl-6,13,17-triazaoctacyclo[21.6.2.02,18.03,16.05,14.07,12.020,30.027,31]hentriaconta-1(30),2(18),3,5(14),7,9,11,15,19,21,23(31),24,26,28-tetradecaene (PubChem CID 146213255) has the molecular formula C71H44N6 and a molecular weight of 981.18 g/mol. Its IUPAC name is 6-phenyl-13-[7-(10-phenylphenazin-5-yl)phenanthren-2-yl]-17-pyridin-4-yl-6,13,17-triazaoctacyclo[21.6.2.02,18.03,16.05,14.07,12.020,30.027,31]hentriaconta-1(30),2(18),3,5(14),7,9,11,15,19,21,23(31),24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 6-phenyl-13-[7-(10-phenylphenazin-5-yl)phenanthren-2-yl]-17-pyridin-4-yl-6,13,17-triazaoctacyclo[21.6.2.02,18.03,16.05,14.07,12.020,30.027,31]hentriaconta-1(30),2(18),3,5(14),7,9,11,15,19,21,23(31),24,26,28-tetradecaene
• PubChem CID: 146213255
• Molecular Formula: C71H44N6
• Molecular Weight: 981.18 g/mol
• Exact Mass: 980.36
• IUPAC Name: 6-phenyl-13-[7-(10-phenylphenazin-5-yl)phenanthren-2-yl]-17-pyridin-4-yl-6,13,17-triazaoctacyclo[21.6.2.02,18.03,16.05,14.07,12.020,30.027,31]hentriaconta-1(30),2(18),3,5(14),7,9,11,15,19,21,23(31),24,26,28-tetradecaene
• SMILES: c1ccc(N2c3ccccc3N(c3ccc4c(ccc5cc(-n6c7ccccc7n(-c7ccccc7)c7cc8c9c%10ccc%11cccc%12ccc(cc9n(-c9ccncc9)c8cc76)c%10c%12%11)ccc54)c3)c3ccccc32)cc1
• InChI: InChI=1S/C71H44N6/c1-3-16-50(17-4-1)73-59-20-7-10-23-62(59)76(63-24-11-8-21-60(63)73)53-31-34-55-47(40-53)27-28-48-41-54(32-35-56(48)55)77-64-25-12-9-22-61(64)74(51-18-5-2-6-19-51)66-43-58-65(44-67(66)77)75(52-36-38-72-39-37-52)68-42-49-29-26-45-14-13-15-46-30-33-57(71(58)68)70(49)69(45)46/h1-44H
• InChIKey: VTNHRXBXBTWVRT-UHFFFAOYSA-N
• XLogP: 19.09
• TPSA: 34.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	981.18
LogP ≤ 5	19.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-13-[7-(10-phenylphenazin-5-yl)phenanthren-2-yl]-17-pyridin-4-yl-6,13,17-triazaoctacyclo[21.6.2.02,18.03,16.05,14.07,12.020,30.027,31]hentriaconta-1(30),2(18),3,5(14),7,9,11,15,19,21,23(31),24,26,28-tetradecaene?

The IUPAC name of 6-phenyl-13-[7-(10-phenylphenazin-5-yl)phenanthren-2-yl]-17-pyridin-4-yl-6,13,17-triazaoctacyclo[21.6.2.02,18.03,16.05,14.07,12.020,30.027,31]hentriaconta-1(30),2(18),3,5(14),7,9,11,15,19,21,23(31),24,26,28-tetradecaene (CID 146213255) is 6-phenyl-13-[7-(10-phenylphenazin-5-yl)phenanthren-2-yl]-17-pyridin-4-yl-6,13,17-triazaoctacyclo[21.6.2.02,18.03,16.05,14.07,12.020,30.027,31]hentriaconta-1(30),2(18),3,5(14),7,9,11,15,19,21,23(31),24,26,28-tetradecaene.

What is the SMILES notation for 6-phenyl-13-[7-(10-phenylphenazin-5-yl)phenanthren-2-yl]-17-pyridin-4-yl-6,13,17-triazaoctacyclo[21.6.2.02,18.03,16.05,14.07,12.020,30.027,31]hentriaconta-1(30),2(18),3,5(14),7,9,11,15,19,21,23(31),24,26,28-tetradecaene?

The canonical SMILES for 6-phenyl-13-[7-(10-phenylphenazin-5-yl)phenanthren-2-yl]-17-pyridin-4-yl-6,13,17-triazaoctacyclo[21.6.2.02,18.03,16.05,14.07,12.020,30.027,31]hentriaconta-1(30),2(18),3,5(14),7,9,11,15,19,21,23(31),24,26,28-tetradecaene is c1ccc(N2c3ccccc3N(c3ccc4c(ccc5cc(-n6c7ccccc7n(-c7ccccc7)c7cc8c9c%10ccc%11cccc%12ccc(cc9n(-c9ccncc9)c8cc76)c%10c%12%11)ccc54)c3)c3ccccc32)cc1.

What is the InChIKey of 6-phenyl-13-[7-(10-phenylphenazin-5-yl)phenanthren-2-yl]-17-pyridin-4-yl-6,13,17-triazaoctacyclo[21.6.2.02,18.03,16.05,14.07,12.020,30.027,31]hentriaconta-1(30),2(18),3,5(14),7,9,11,15,19,21,23(31),24,26,28-tetradecaene?

The InChIKey is VTNHRXBXBTWVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H44N6/c1-3-16-50(17-4-1)73-59-20-7-10-23-62(59)76(63-24-11-8-21-60(63)73)53-31-34-55-47(40-53)27-28-48-41-54(32-35-56(48)55)77-64-25-12-9-22-61(64)74(51-18-5-2-6-19-51)66-43-58-65(44-67(66)77)75(52-36-38-72-39-37-52)68-42-49-29-26-45-14-13-15-46-30-33-57(71(58)68)70(49)69(45)46/h1-44H.

What are the key properties of 6-phenyl-13-[7-(10-phenylphenazin-5-yl)phenanthren-2-yl]-17-pyridin-4-yl-6,13,17-triazaoctacyclo[21.6.2.02,18.03,16.05,14.07,12.020,30.027,31]hentriaconta-1(30),2(18),3,5(14),7,9,11,15,19,21,23(31),24,26,28-tetradecaene?

6-phenyl-13-[7-(10-phenylphenazin-5-yl)phenanthren-2-yl]-17-pyridin-4-yl-6,13,17-triazaoctacyclo[21.6.2.02,18.03,16.05,14.07,12.020,30.027,31]hentriaconta-1(30),2(18),3,5(14),7,9,11,15,19,21,23(31),24,26,28-tetradecaene has a molecular weight of 981.18 g/mol, XLogP of 19.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-13-[7-(10-phenylphenazin-5-yl)phenanthren-2-yl]-17-pyridin-4-yl-6,13,17-triazaoctacyclo[21.6.2.02,18.03,16.05,14.07,12.020,30.027,31]hentriaconta-1(30),2(18),3,5(14),7,9,11,15,19,21,23(31),24,26,28-tetradecaene is sourced from PubChem (CID 146213255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).