11-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-phenyl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-pyridin-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene

C105H58N10S6 — CID 162196959

About 11-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-phenyl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-pyridin-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene

11-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-phenyl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-pyridin-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene (PubChem CID 162196959) has the molecular formula C105H58N10S6 and a molecular weight of 1652.09 g/mol. Its IUPAC name is 11-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-phenyl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-pyridin-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene.

Molecular Properties

• Compound Name: 11-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-phenyl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-pyridin-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
• PubChem CID: 162196959
• Molecular Formula: C105H58N10S6
• Molecular Weight: 1652.09 g/mol
• Exact Mass: 1650.32
• IUPAC Name: 11-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-phenyl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-pyridin-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
• SMILES: c1ccc(-c2ccc3ccc4ccc(-n5c6c7ccccc7sc6c6sc7ccccc7c65)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-n5c6c7ccccc7sc6c6sc7ccccc7c65)nc4c3n2)nc1.c1ccc2cc(-c3ccc4ccc5ccc(-n6c7c8ccccc8sc7c7sc8ccccc8c76)nc5c4n3)ccc2c1
• InChI: InChI=1S/C38H21N3S2.C34H19N3S2.C33H18N4S2/c1-2-8-25-21-26(16-13-22(25)7-1)29-19-17-23-14-15-24-18-20-32(40-34(24)33(23)39-29)41-35-27-9-3-5-11-30(27)42-37(35)38-36(41)28-10-4-6-12-31(28)43-38;1-2-8-20(9-3-1)25-18-16-21-14-15-22-17-19-28(36-30(22)29(21)35-25)37-31-23-10-4-6-12-26(23)38-33(31)34-32(37)24-11-5-7-13-27(24)39-34;1-3-10-25-21(7-1)30-32(38-25)33-31(22-8-2-4-11-26(22)39-33)37(30)27-17-15-20-13-12-19-14-16-24(23-9-5-6-18-34-23)35-28(19)29(20)36-27/h1-21H;1-19H;1-18H
• InChIKey: ZRBLAKXVSADSEV-UHFFFAOYSA-N
• XLogP: 30.48
• TPSA: 105.02 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1652.09
LogP ≤ 5	30.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-phenyl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-pyridin-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?

The IUPAC name of 11-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-phenyl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-pyridin-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene (CID 162196959) is 11-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-phenyl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-pyridin-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene.

What is the SMILES notation for 11-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-phenyl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-pyridin-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?

The canonical SMILES for 11-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-phenyl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-pyridin-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene is c1ccc(-c2ccc3ccc4ccc(-n5c6c7ccccc7sc6c6sc7ccccc7c65)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-n5c6c7ccccc7sc6c6sc7ccccc7c65)nc4c3n2)nc1.c1ccc2cc(-c3ccc4ccc5ccc(-n6c7c8ccccc8sc7c7sc8ccccc8c76)nc5c4n3)ccc2c1.

What is the InChIKey of 11-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-phenyl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-pyridin-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?

The InChIKey is ZRBLAKXVSADSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3S2.C34H19N3S2.C33H18N4S2/c1-2-8-25-21-26(16-13-22(25)7-1)29-19-17-23-14-15-24-18-20-32(40-34(24)33(23)39-29)41-35-27-9-3-5-11-30(27)42-37(35)38-36(41)28-10-4-6-12-31(28)43-38;1-2-8-20(9-3-1)25-18-16-21-14-15-22-17-19-28(36-30(22)29(21)35-25)37-31-23-10-4-6-12-26(23)38-33(31)34-32(37)24-11-5-7-13-27(24)39-34;1-3-10-25-21(7-1)30-32(38-25)33-31(22-8-2-4-11-26(22)39-33)37(30)27-17-15-20-13-12-19-14-16-24(23-9-5-6-18-34-23)35-28(19)29(20)36-27/h1-21H;1-19H;1-18H.

What are the key properties of 11-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-phenyl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-pyridin-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene?

11-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-phenyl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-pyridin-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene has a molecular weight of 1652.09 g/mol, XLogP of 30.48, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-phenyl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene;11-(9-pyridin-2-yl-1,10-phenanthrolin-2-yl)-3,19-dithia-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene is sourced from PubChem (CID 162196959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).