17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]

C63H38 — CID 140961837

About 17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]

17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] (PubChem CID 140961837) has the molecular formula C63H38 and a molecular weight of 795.00 g/mol. Its IUPAC name is 17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene].

Molecular Properties

• Compound Name: 17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
• PubChem CID: 140961837
• Molecular Formula: C63H38
• Molecular Weight: 795.00 g/mol
• Exact Mass: 794.30
• IUPAC Name: 17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
• SMILES: c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6cc7c(cc6c5)C5(c6ccccc6-c6ccccc65)c5ccc6ccccc6c5-7)c5ccccc45)ccc3c2)cc1
• InChI: InChI=1S/C63H38/c1-2-14-39(15-3-1)41-26-27-43-35-45(30-28-42(43)34-41)60-51-20-6-8-22-53(51)61(54-23-9-7-21-52(54)60)46-31-29-44-37-55-59(38-47(44)36-46)63(58-33-32-40-16-4-5-17-48(40)62(55)58)56-24-12-10-18-49(56)50-19-11-13-25-57(50)63/h1-38H
• InChIKey: QWQYXIDGRWABMI-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 17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?

The IUPAC name of 17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] (CID 140961837) is 17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene].

What is the SMILES notation for 17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?

The canonical SMILES for 17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] is c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6cc7c(cc6c5)C5(c6ccccc6-c6ccccc65)c5ccc6ccccc6c5-7)c5ccccc45)ccc3c2)cc1.

What is the InChIKey of 17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?

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

What are the key properties of 17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]?

17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-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 17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene] is sourced from PubChem (CID 140961837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).