7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine]

C216H120N4O2S2 — CID 159794709

About 7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine]

7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine] (PubChem CID 159794709) has the molecular formula C216H120N4O2S2 and a molecular weight of 2867.50 g/mol. Its IUPAC name is 7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine].

Molecular Properties

• Compound Name: 7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine]
• PubChem CID: 159794709
• Molecular Formula: C216H120N4O2S2
• Molecular Weight: 2867.50 g/mol
• Exact Mass: 2864.89
• IUPAC Name: 7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine]
• SMILES: c1ccc(-c2ccc3ccc4c(-c5ccc6c(c5)C5(c7ccccc7-c7cc8oc9ccccc9c8cc75)c5cccnc5-6)ccc5ccc2c3c54)cc1.c1ccc(-c2ccc3ccc4c(-c5ccc6c(c5)C5(c7ccccc7-c7cc8sc9ccccc9c8cc75)c5cccnc5-6)ccc5ccc2c3c54)cc1.c1ccc2c(c1)-c1cc3oc4ccccc4c3cc1C21c2cc(-c3ccc4ccc5c(-c6cccc7ccccc67)ccc6ccc3c4c65)ccc2-c2ncccc21.c1ccc2c(c1)-c1cc3sc4ccccc4c3cc1C21c2cc(-c3ccc4ccc5c(-c6cccc7ccccc67)ccc6ccc3c4c65)ccc2-c2ncccc21
• InChI: InChI=1S/C56H31NO.C56H31NS.C52H29NO.C52H29NS/c2*1-2-11-36-32(9-1)10-7-14-38(36)39-24-19-34-20-25-42-37(23-18-33-21-26-43(39)54(34)53(33)42)35-22-27-44-49(29-35)56(48-16-8-28-57-55(44)48)47-15-5-3-12-40(47)45-31-52-46(30-50(45)56)41-13-4-6-17-51(41)58-52;2*1-2-9-30(10-3-1)34-21-16-31-19-24-39-35(22-17-32-18-23-38(34)49(31)50(32)39)33-20-25-40-45(27-33)52(44-14-8-26-53-51(40)44)43-13-6-4-11-36(43)41-29-48-42(28-46(41)52)37-12-5-7-15-47(37)54-48/h2*1-31H;2*1-29H
• InChIKey: NJADSDRKJANOBB-UHFFFAOYSA-N
• XLogP: 57.47
• TPSA: 77.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2867.50
LogP ≤ 5	57.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine]?

The IUPAC name of 7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine] (CID 159794709) is 7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine].

What is the SMILES notation for 7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine]?

The canonical SMILES for 7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine] is c1ccc(-c2ccc3ccc4c(-c5ccc6c(c5)C5(c7ccccc7-c7cc8oc9ccccc9c8cc75)c5cccnc5-6)ccc5ccc2c3c54)cc1.c1ccc(-c2ccc3ccc4c(-c5ccc6c(c5)C5(c7ccccc7-c7cc8sc9ccccc9c8cc75)c5cccnc5-6)ccc5ccc2c3c54)cc1.c1ccc2c(c1)-c1cc3oc4ccccc4c3cc1C21c2cc(-c3ccc4ccc5c(-c6cccc7ccccc67)ccc6ccc3c4c65)ccc2-c2ncccc21.c1ccc2c(c1)-c1cc3sc4ccccc4c3cc1C21c2cc(-c3ccc4ccc5c(-c6cccc7ccccc67)ccc6ccc3c4c65)ccc2-c2ncccc21.

What is the InChIKey of 7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine]?

The InChIKey is NJADSDRKJANOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H31NO.C56H31NS.C52H29NO.C52H29NS/c2*1-2-11-36-32(9-1)10-7-14-38(36)39-24-19-34-20-25-42-37(23-18-33-21-26-43(39)54(34)53(33)42)35-22-27-44-49(29-35)56(48-16-8-28-57-55(44)48)47-15-5-3-12-40(47)45-31-52-46(30-50(45)56)41-13-4-6-17-51(41)58-52;2*1-2-9-30(10-3-1)34-21-16-31-19-24-39-35(22-17-32-18-23-38(34)49(31)50(32)39)33-20-25-40-45(27-33)52(44-14-8-26-53-51(40)44)43-13-6-4-11-36(43)41-29-48-42(28-46(41)52)37-12-5-7-15-47(37)54-48/h2*1-31H;2*1-29H.

What are the key properties of 7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine]?

7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine] has a molecular weight of 2867.50 g/mol, XLogP of 57.47, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-naphthalen-1-ylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,5'-indeno[1,2-b]pyridine];7'-(6-phenylpyren-1-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine] is sourced from PubChem (CID 159794709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).