10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)anthracene

C45H27Cl5 — CID 135210142

About 10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)anthracene

10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)anthracene (PubChem CID 135210142) has the molecular formula C45H27Cl5 and a molecular weight of 744.98 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)anthracene.

Molecular Properties

• Compound Name: 10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)anthracene
• PubChem CID: 135210142
• Molecular Formula: C45H27Cl5
• Molecular Weight: 744.98 g/mol
• Exact Mass: 742.06
• IUPAC Name: 10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)anthracene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5c(Cl)c(Cl)c(Cl)c(Cl)c5Cl)ccc34)cc21
• InChI: InChI=1S/C45H27Cl5/c1-45(2)35-17-8-7-13-28(35)29-20-18-26(23-36(29)45)37-31-14-5-6-15-32(31)39(30-16-9-11-24-10-3-4-12-27(24)30)34-22-25(19-21-33(34)37)38-40(46)42(48)44(50)43(49)41(38)47/h3-23H,1-2H3
• InChIKey: SNYWYTYKFPVFBV-UHFFFAOYSA-N
• XLogP: 15.72
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.98
LogP ≤ 5	15.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)anthracene?

The IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)anthracene (CID 135210142) is 10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)anthracene.

What is the SMILES notation for 10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)anthracene?

The canonical SMILES for 10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)anthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5c(Cl)c(Cl)c(Cl)c(Cl)c5Cl)ccc34)cc21.

What is the InChIKey of 10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)anthracene?

The InChIKey is SNYWYTYKFPVFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27Cl5/c1-45(2)35-17-8-7-13-28(35)29-20-18-26(23-36(29)45)37-31-14-5-6-15-32(31)39(30-16-9-11-24-10-3-4-12-27(24)30)34-22-25(19-21-33(34)37)38-40(46)42(48)44(50)43(49)41(38)47/h3-23H,1-2H3.

What are the key properties of 10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)anthracene?

10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)anthracene has a molecular weight of 744.98 g/mol, XLogP of 15.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)anthracene is sourced from PubChem (CID 135210142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).