4-tert-butyl-2-[3-naphthalen-2-yl-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;2-[2-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[3-(2,6-dimethylphenyl)-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol

C156H120N14O6Pt4-4 — CID 157080904

About 4-tert-butyl-2-[3-naphthalen-2-yl-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;2-[2-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[3-(2,6-dimethylphenyl)-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol

4-tert-butyl-2-[3-naphthalen-2-yl-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;2-[2-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[3-(2,6-dimethylphenyl)-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol (PubChem CID 157080904) has the molecular formula C156H120N14O6Pt4-4 and a molecular weight of 3067.08 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-naphthalen-2-yl-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;2-[2-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[3-(2,6-dimethylphenyl)-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[3-naphthalen-2-yl-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;2-[2-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[3-(2,6-dimethylphenyl)-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol
• PubChem CID: 157080904
• Molecular Formula: C156H120N14O6Pt4-4
• Molecular Weight: 3067.08 g/mol
• Exact Mass: 3064.81
• IUPAC Name: 4-tert-butyl-2-[3-naphthalen-2-yl-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;2-[2-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[3-(2,6-dimethylphenyl)-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol
• SMILES: CC(C)(C)c1cc(-c2nc(-c3ccccc3O)c3oc4ccccc4c3n2)[c-]c(-n2c3ccccc3c3cccnc32)c1.CC(C)(C)c1ccc(O)c(-c2[c-]c(-c3cccc(-n4c5ccccc5c5cccnc54)n3)cc(-c3ccc4ccccc4c3)c2)c1.Cc1cccc(C)c1-c1cc(-c2cccc(-n3c4ccccc4c4cccnc43)n2)[c-]c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1.Oc1ccccc1-c1nc(-c2[c-]c(-n3c4ccccc4c4cccnc43)ccc2)nc2c1oc1ccccc12.[Pt].[Pt].[Pt].[Pt]
• InChI: InChI=1S/C44H42N3O.C42H32N3O.C37H27N4O2.C33H19N4O2.4Pt/c1-27-14-11-15-28(2)40(27)31-23-29(35-25-32(43(3,4)5)26-36(41(35)48)44(6,7)8)22-30(24-31)37-18-12-20-39(46-37)47-38-19-10-9-16-33(38)34-17-13-21-45-42(34)47;1-42(2,3)33-19-20-39(46)36(26-33)31-23-30(29-18-17-27-10-4-5-11-28(27)22-29)24-32(25-31)37-14-8-16-40(44-37)45-38-15-7-6-12-34(38)35-13-9-21-43-41(35)45;1-37(2,3)23-19-22(20-24(21-23)41-29-15-7-4-11-25(29)26-14-10-18-38-36(26)41)35-39-32(27-12-5-8-16-30(27)42)34-33(40-35)28-13-6-9-17-31(28)43-34;38-27-16-5-2-12-24(27)29-31-30(25-13-3-6-17-28(25)39-31)36-32(35-29)20-9-7-10-21(19-20)37-26-15-4-1-11-22(26)23-14-8-18-34-33(23)37;;;;/h9-21,23-26,48H,1-8H3;4-24,26,46H,1-3H3;4-19,21,42H,1-3H3;1-18,38H;;;;/q4*-1
• InChIKey: YQPGMFXKRPYWOO-UHFFFAOYSA-N
• XLogP: 38.53
• TPSA: 255.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3067.08
LogP ≤ 5	38.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[3-naphthalen-2-yl-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;2-[2-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[3-(2,6-dimethylphenyl)-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol?

The IUPAC name of 4-tert-butyl-2-[3-naphthalen-2-yl-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;2-[2-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[3-(2,6-dimethylphenyl)-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol (CID 157080904) is 4-tert-butyl-2-[3-naphthalen-2-yl-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;2-[2-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[3-(2,6-dimethylphenyl)-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol.

What is the SMILES notation for 4-tert-butyl-2-[3-naphthalen-2-yl-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;2-[2-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[3-(2,6-dimethylphenyl)-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol?

The canonical SMILES for 4-tert-butyl-2-[3-naphthalen-2-yl-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;2-[2-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[3-(2,6-dimethylphenyl)-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol is CC(C)(C)c1cc(-c2nc(-c3ccccc3O)c3oc4ccccc4c3n2)[c-]c(-n2c3ccccc3c3cccnc32)c1.CC(C)(C)c1ccc(O)c(-c2[c-]c(-c3cccc(-n4c5ccccc5c5cccnc54)n3)cc(-c3ccc4ccccc4c3)c2)c1.Cc1cccc(C)c1-c1cc(-c2cccc(-n3c4ccccc4c4cccnc43)n2)[c-]c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c1.Oc1ccccc1-c1nc(-c2[c-]c(-n3c4ccccc4c4cccnc43)ccc2)nc2c1oc1ccccc12.[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of 4-tert-butyl-2-[3-naphthalen-2-yl-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;2-[2-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[3-(2,6-dimethylphenyl)-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol?

The InChIKey is YQPGMFXKRPYWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N3O.C42H32N3O.C37H27N4O2.C33H19N4O2.4Pt/c1-27-14-11-15-28(2)40(27)31-23-29(35-25-32(43(3,4)5)26-36(41(35)48)44(6,7)8)22-30(24-31)37-18-12-20-39(46-37)47-38-19-10-9-16-33(38)34-17-13-21-45-42(34)47;1-42(2,3)33-19-20-39(46)36(26-33)31-23-30(29-18-17-27-10-4-5-11-28(27)22-29)24-32(25-31)37-14-8-16-40(44-37)45-38-15-7-6-12-34(38)35-13-9-21-43-41(35)45;1-37(2,3)23-19-22(20-24(21-23)41-29-15-7-4-11-25(29)26-14-10-18-38-36(26)41)35-39-32(27-12-5-8-16-30(27)42)34-33(40-35)28-13-6-9-17-31(28)43-34;38-27-16-5-2-12-24(27)29-31-30(25-13-3-6-17-28(25)39-31)36-32(35-29)20-9-7-10-21(19-20)37-26-15-4-1-11-22(26)23-14-8-18-34-33(23)37;;;;/h9-21,23-26,48H,1-8H3;4-24,26,46H,1-3H3;4-19,21,42H,1-3H3;1-18,38H;;;;/q4*-1;;;;.

What are the key properties of 4-tert-butyl-2-[3-naphthalen-2-yl-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;2-[2-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[3-(2,6-dimethylphenyl)-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol?

4-tert-butyl-2-[3-naphthalen-2-yl-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;2-[2-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[3-(2,6-dimethylphenyl)-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol has a molecular weight of 3067.08 g/mol, XLogP of 38.53, 14 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[3-naphthalen-2-yl-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;2-[2-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[3-(2,6-dimethylphenyl)-5-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzene-6-id-1-yl]phenol;platinum;2-[2-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol is sourced from PubChem (CID 157080904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).