1-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;3-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;1-[3-tert-butyl-5-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]isoquinoline;1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;pentakis(platinum(2+))

C174H138N10O5Pt5 — CID 161087961

About 1-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;3-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;1-[3-tert-butyl-5-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]isoquinoline;1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;pentakis(platinum(2+))

1-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;3-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;1-[3-tert-butyl-5-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]isoquinoline;1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;pentakis(platinum(2+)) (PubChem CID 161087961) has the molecular formula C174H138N10O5Pt5 and a molecular weight of 3424.47 g/mol. Its IUPAC name is 1-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;3-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;1-[3-tert-butyl-5-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]isoquinoline;1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;pentakis(platinum(2+)).

Molecular Properties

• Compound Name: 1-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;3-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;1-[3-tert-butyl-5-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]isoquinoline;1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;pentakis(platinum(2+))
• PubChem CID: 161087961
• Molecular Formula: C174H138N10O5Pt5
• Molecular Weight: 3424.47 g/mol
• Exact Mass: 3421.91
• IUPAC Name: 1-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;3-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;1-[3-tert-butyl-5-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]isoquinoline;1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;pentakis(platinum(2+))
• SMILES: CC(C)(C)c1cc(Oc2[c-]c(-c3cc(C(C)(C)C)ccn3)cc3ccccc23)[c-]c(-c2cc3ccccc3cn2)c1.CC(C)(C)c1cc(Oc2[c-]c(-c3cc(C(C)(C)C)ccn3)cc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.CC(C)(C)c1cc(Oc2[c-]c(-c3cc4ccccc4cn3)ccc2)[c-]c(-c2nccc3ccccc23)c1.CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4nccc5ccccc45)ccc3)c3ccccc3c2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c(-c3nccc4ccccc34)ccc2)cccc1-c1cc2ccccc2cn1
• InChI: InChI=1S/2C38H34N2O.2C34H26N2O.C30H18N2O.5Pt/c1-37(2,3)29-16-18-39-34(24-29)27-19-26-12-8-9-13-32(26)35(22-27)41-31-21-28(20-30(23-31)38(4,5)6)36-33-14-10-7-11-25(33)15-17-40-36;1-37(2,3)30-15-16-39-35(23-30)28-17-26-12-9-10-14-33(26)36(21-28)41-32-19-29(18-31(22-32)38(4,5)6)34-20-25-11-7-8-13-27(25)24-40-34;1-34(2,3)27-16-18-35-31(22-27)26-19-24-10-5-6-13-29(24)32(21-26)37-28-12-8-11-25(20-28)33-30-14-7-4-9-23(30)15-17-36-33;1-34(2,3)28-17-27(33-31-14-7-6-9-23(31)15-16-35-33)19-30(21-28)37-29-13-8-12-25(18-29)32-20-24-10-4-5-11-26(24)22-36-32;1-2-9-25-20-32-29(19-22(25)8-1)23-10-5-12-26(17-23)33-27-13-6-11-24(18-27)30-28-14-4-3-7-21(28)15-16-31-30;;;;;/h7-20,23-24H,1-6H3;7-18,20,22-24H,1-6H3;4-19,22H,1-3H3;4-17,20-22H,1-3H3;1-16,19-20H;;;;;/q5*-2;5*+2
• InChIKey: WDCMXSZDJYNPNB-UHFFFAOYSA-N
• XLogP: 45.32
• TPSA: 175.05 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3424.47
LogP ≤ 5	45.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;3-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;1-[3-tert-butyl-5-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]isoquinoline;1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;pentakis(platinum(2+))?

The IUPAC name of 1-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;3-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;1-[3-tert-butyl-5-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]isoquinoline;1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;pentakis(platinum(2+)) (CID 161087961) is 1-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;3-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;1-[3-tert-butyl-5-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]isoquinoline;1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;pentakis(platinum(2+)).

What is the SMILES notation for 1-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;3-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;1-[3-tert-butyl-5-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]isoquinoline;1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;pentakis(platinum(2+))?

The canonical SMILES for 1-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;3-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;1-[3-tert-butyl-5-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]isoquinoline;1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;pentakis(platinum(2+)) is CC(C)(C)c1cc(Oc2[c-]c(-c3cc(C(C)(C)C)ccn3)cc3ccccc23)[c-]c(-c2cc3ccccc3cn2)c1.CC(C)(C)c1cc(Oc2[c-]c(-c3cc(C(C)(C)C)ccn3)cc3ccccc23)[c-]c(-c2nccc3ccccc23)c1.CC(C)(C)c1cc(Oc2[c-]c(-c3cc4ccccc4cn3)ccc2)[c-]c(-c2nccc3ccccc23)c1.CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4nccc5ccccc45)ccc3)c3ccccc3c2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c(-c3nccc4ccccc34)ccc2)cccc1-c1cc2ccccc2cn1.

What is the InChIKey of 1-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;3-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;1-[3-tert-butyl-5-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]isoquinoline;1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;pentakis(platinum(2+))?

The InChIKey is WDCMXSZDJYNPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H34N2O.2C34H26N2O.C30H18N2O.5Pt/c1-37(2,3)29-16-18-39-34(24-29)27-19-26-12-8-9-13-32(26)35(22-27)41-31-21-28(20-30(23-31)38(4,5)6)36-33-14-10-7-11-25(33)15-17-40-36;1-37(2,3)30-15-16-39-35(23-30)28-17-26-12-9-10-14-33(26)36(21-28)41-32-19-29(18-31(22-32)38(4,5)6)34-20-25-11-7-8-13-27(25)24-40-34;1-34(2,3)27-16-18-35-31(22-27)26-19-24-10-5-6-13-29(24)32(21-26)37-28-12-8-11-25(20-28)33-30-14-7-4-9-23(30)15-17-36-33;1-34(2,3)28-17-27(33-31-14-7-6-9-23(31)15-16-35-33)19-30(21-28)37-29-13-8-12-25(18-29)32-20-24-10-4-5-11-26(24)22-36-32;1-2-9-25-20-32-29(19-22(25)8-1)23-10-5-12-26(17-23)33-27-13-6-11-24(18-27)30-28-14-4-3-7-21(28)15-16-31-30;;;;;/h7-20,23-24H,1-6H3;7-18,20,22-24H,1-6H3;4-19,22H,1-3H3;4-17,20-22H,1-3H3;1-16,19-20H;;;;;/q5*-2;5*+2.

What are the key properties of 1-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;3-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;1-[3-tert-butyl-5-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]isoquinoline;1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;pentakis(platinum(2+))?

1-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;3-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;1-[3-tert-butyl-5-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]isoquinoline;1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;pentakis(platinum(2+)) has a molecular weight of 3424.47 g/mol, XLogP of 45.32, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;3-[3-tert-butyl-5-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-6-id-1-yl]isoquinoline;1-[3-tert-butyl-5-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]isoquinoline;1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;1-[3-(3-isoquinolin-3-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]isoquinoline;pentakis(platinum(2+)) is sourced from PubChem (CID 161087961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).