14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(2-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C69H52 — CID 58175514

About 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(2-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(2-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 58175514) has the molecular formula C69H52 and a molecular weight of 881.18 g/mol. Its IUPAC name is 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(2-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(2-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• PubChem CID: 58175514
• Molecular Formula: C69H52
• Molecular Weight: 881.18 g/mol
• Exact Mass: 880.41
• IUPAC Name: 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(2-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccc(-c5ccccc5-c5cccc6ccccc56)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5c(cc34)-c3ccccc3C5(C)C)cc21
• InChI: InChI=1S/C69H52/c1-67(2)59-27-14-11-23-49(59)52-33-31-43(37-62(52)67)65-54-35-30-42(46-21-9-10-22-47(46)48-26-17-19-41-18-7-8-20-45(41)48)36-56(54)66(44-32-34-53-50-24-12-15-28-60(50)68(3,4)63(53)38-44)58-40-64-55(39-57(58)65)51-25-13-16-29-61(51)69(64,5)6/h7-40H,1-6H3
• InChIKey: USFMLXIXRMYTTI-UHFFFAOYSA-N
• XLogP: 18.73
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.18
LogP ≤ 5	18.73
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 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(2-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The IUPAC name of 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(2-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 58175514) is 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(2-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

What is the SMILES notation for 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(2-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The canonical SMILES for 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(2-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is CC1(C)c2ccccc2-c2ccc(-c3c4ccc(-c5ccccc5-c5cccc6ccccc56)cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5c(cc34)-c3ccccc3C5(C)C)cc21.

What is the InChIKey of 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(2-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The InChIKey is USFMLXIXRMYTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H52/c1-67(2)59-27-14-11-23-49(59)52-33-31-43(37-62(52)67)65-54-35-30-42(46-21-9-10-22-47(46)48-26-17-19-41-18-7-8-20-45(41)48)36-56(54)66(44-32-34-53-50-24-12-15-28-60(50)68(3,4)63(53)38-44)58-40-64-55(39-57(58)65)51-25-13-16-29-61(51)69(64,5)6/h7-40H,1-6H3.

What are the key properties of 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(2-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(2-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 881.18 g/mol, XLogP of 18.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(2-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 58175514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).