9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]

C63H38 — CID 140962359

About 9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]

9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene] (PubChem CID 140962359) has the molecular formula C63H38 and a molecular weight of 795.00 g/mol. Its IUPAC name is 9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene].

Molecular Properties

• Compound Name: 9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
• PubChem CID: 140962359
• Molecular Formula: C63H38
• Molecular Weight: 795.00 g/mol
• Exact Mass: 794.30
• IUPAC Name: 9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2c1cc(-c1c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc13)c1ccccc21
• InChI: InChI=1S/C63H38/c1-2-16-42-35-45(34-31-39(42)15-1)40-29-32-41(33-30-40)60-50-23-7-9-25-52(50)61(53-26-10-8-24-51(53)60)54-38-59-62(49-22-6-5-19-46(49)54)55-36-43-17-3-4-18-44(43)37-58(55)63(59)56-27-13-11-20-47(56)48-21-12-14-28-57(48)63/h1-38H
• InChIKey: IUSCOYPFDPPROI-UHFFFAOYSA-N
• XLogP: 16.80
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.00
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]?

The IUPAC name of 9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene] (CID 140962359) is 9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene].

What is the SMILES notation for 9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]?

The canonical SMILES for 9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene] is c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2c1cc(-c1c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc13)c1ccccc21.

What is the InChIKey of 9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]?

The InChIKey is IUSCOYPFDPPROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38/c1-2-16-42-35-45(34-31-39(42)15-1)40-29-32-41(33-30-40)60-50-23-7-9-25-52(50)61(53-26-10-8-24-51(53)60)54-38-59-62(49-22-6-5-19-46(49)54)55-36-43-17-3-4-18-44(43)37-58(55)63(59)56-27-13-11-20-47(56)48-21-12-14-28-57(48)63/h1-38H.

What are the key properties of 9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]?

9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene] has a molecular weight of 795.00 g/mol, XLogP of 16.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene] is sourced from PubChem (CID 140962359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).