5'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]

C67H40 — CID 140961770

About 5'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]

5'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene] (PubChem CID 140961770) has the molecular formula C67H40 and a molecular weight of 845.06 g/mol. Its IUPAC name is 5'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene].

Molecular Properties

• Compound Name: 5'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]
• PubChem CID: 140961770
• Molecular Formula: C67H40
• Molecular Weight: 845.06 g/mol
• Exact Mass: 844.31
• IUPAC Name: 5'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]
• SMILES: c1cc(-c2ccc3c4c(c5ccccc5c3c2)-c2c(ccc3ccccc23)C42c3ccccc3-c3ccccc32)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
• InChI: InChI=1S/C67H40/c1-2-18-43-38-47(33-32-41(43)16-1)63-55-28-9-7-26-53(55)62(54-27-8-10-29-56(54)63)46-20-15-19-44(39-46)45-34-36-57-58(40-45)49-22-5-6-25-52(49)65-64-48-21-4-3-17-42(48)35-37-61(64)67(66(57)65)59-30-13-11-23-50(59)51-24-12-14-31-60(51)67/h1-40H
• InChIKey: JXFKVVPBGUGCFX-UHFFFAOYSA-N
• XLogP: 17.95
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.06
LogP ≤ 5	17.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]?

The IUPAC name of 5'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene] (CID 140961770) is 5'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene].

What is the SMILES notation for 5'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]?

The canonical SMILES for 5'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene] is c1cc(-c2ccc3c4c(c5ccccc5c3c2)-c2c(ccc3ccccc23)C42c3ccccc3-c3ccccc32)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.

What is the InChIKey of 5'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]?

The InChIKey is JXFKVVPBGUGCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H40/c1-2-18-43-38-47(33-32-41(43)16-1)63-55-28-9-7-26-53(55)62(54-27-8-10-29-56(54)63)46-20-15-19-44(39-46)45-34-36-57-58(40-45)49-22-5-6-25-52(49)65-64-48-21-4-3-17-42(48)35-37-61(64)67(66(57)65)59-30-13-11-23-50(59)51-24-12-14-31-60(51)67/h1-40H.

What are the key properties of 5'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]?

5'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene] has a molecular weight of 845.06 g/mol, XLogP of 17.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene] is sourced from PubChem (CID 140961770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).