3-[3-[3-(3-pyridin-3-ylphenyl)-5-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylphenyl]phenyl]pyridine

C63H38N2 — CID 166026078

About 3-[3-[3-(3-pyridin-3-ylphenyl)-5-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylphenyl]phenyl]pyridine

3-[3-[3-(3-pyridin-3-ylphenyl)-5-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylphenyl]phenyl]pyridine (PubChem CID 166026078) has the molecular formula C63H38N2 and a molecular weight of 823.01 g/mol. Its IUPAC name is 3-[3-[3-(3-pyridin-3-ylphenyl)-5-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylphenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 3-[3-[3-(3-pyridin-3-ylphenyl)-5-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylphenyl]phenyl]pyridine
• PubChem CID: 166026078
• Molecular Formula: C63H38N2
• Molecular Weight: 823.01 g/mol
• Exact Mass: 822.30
• IUPAC Name: 3-[3-[3-(3-pyridin-3-ylphenyl)-5-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylphenyl]phenyl]pyridine
• SMILES: c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4c5c(cc6c4-c4ccccc4C64c6ccccc6-c6ccccc64)-c4cccc6cccc-5c46)c3)c2)c1
• InChI: InChI=1S/C63H38N2/c1-4-26-55-49(21-1)50-22-2-5-27-56(50)63(55)57-28-6-3-23-52(57)62-58(63)36-54-51-24-9-13-39-14-10-25-53(59(39)51)61(54)60(62)48-34-46(42-17-7-15-40(31-42)44-19-11-29-64-37-44)33-47(35-48)43-18-8-16-41(32-43)45-20-12-30-65-38-45/h1-38H
• InChIKey: UXXXSPYUMOETBY-UHFFFAOYSA-N
• XLogP: 15.96
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.01
LogP ≤ 5	15.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(3-pyridin-3-ylphenyl)-5-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylphenyl]phenyl]pyridine?

The IUPAC name of 3-[3-[3-(3-pyridin-3-ylphenyl)-5-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylphenyl]phenyl]pyridine (CID 166026078) is 3-[3-[3-(3-pyridin-3-ylphenyl)-5-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylphenyl]phenyl]pyridine.

What is the SMILES notation for 3-[3-[3-(3-pyridin-3-ylphenyl)-5-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylphenyl]phenyl]pyridine?

The canonical SMILES for 3-[3-[3-(3-pyridin-3-ylphenyl)-5-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylphenyl]phenyl]pyridine is c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4c5c(cc6c4-c4ccccc4C64c6ccccc6-c6ccccc64)-c4cccc6cccc-5c46)c3)c2)c1.

What is the InChIKey of 3-[3-[3-(3-pyridin-3-ylphenyl)-5-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylphenyl]phenyl]pyridine?

The InChIKey is UXXXSPYUMOETBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N2/c1-4-26-55-49(21-1)50-22-2-5-27-56(50)63(55)57-28-6-3-23-52(57)62-58(63)36-54-51-24-9-13-39-14-10-25-53(59(39)51)61(54)60(62)48-34-46(42-17-7-15-40(31-42)44-19-11-29-64-37-44)33-47(35-48)43-18-8-16-41(32-43)45-20-12-30-65-38-45/h1-38H.

What are the key properties of 3-[3-[3-(3-pyridin-3-ylphenyl)-5-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylphenyl]phenyl]pyridine?

3-[3-[3-(3-pyridin-3-ylphenyl)-5-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylphenyl]phenyl]pyridine has a molecular weight of 823.01 g/mol, XLogP of 15.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-(3-pyridin-3-ylphenyl)-5-spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-ylphenyl]phenyl]pyridine is sourced from PubChem (CID 166026078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).