9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene

C114H78 — CID 159596787

About 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene

9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene (PubChem CID 159596787) has the molecular formula C114H78 and a molecular weight of 1447.88 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene.

Molecular Properties

• Compound Name: 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
• PubChem CID: 159596787
• Molecular Formula: C114H78
• Molecular Weight: 1447.88 g/mol
• Exact Mass: 1446.61
• IUPAC Name: 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5cc(-c6ccccc6)ccc5c4)c4ccc(-c5cccc6ccccc56)cc34)cc21
• InChI: InChI=1S/C59H40.C55H38/c1-59(2)55-25-12-11-21-48(55)49-32-31-42(36-56(49)59)58-51-23-10-9-22-50(51)57(52-33-30-41(35-54(52)58)44-24-13-16-37-14-3-5-17-43(37)44)39-28-26-38(27-29-39)53-34-40-15-4-6-18-45(40)46-19-7-8-20-47(46)53;1-55(2)51-22-11-10-18-45(51)46-29-28-42(34-52(46)55)54-48-20-9-8-19-47(48)53(41-26-25-38-31-37(23-24-39(38)32-41)35-13-4-3-5-14-35)49-30-27-40(33-50(49)54)44-21-12-16-36-15-6-7-17-43(36)44/h3-36H,1-2H3;3-34H,1-2H3
• InChIKey: MKYJUDKWHTTZOX-UHFFFAOYSA-N
• XLogP: 31.70
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1447.88
LogP ≤ 5	31.70
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 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene?

The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene (CID 159596787) is 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene.

What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene?

The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5cc(-c6ccccc6)ccc5c4)c4ccc(-c5cccc6ccccc56)cc34)cc21.

What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene?

The InChIKey is MKYJUDKWHTTZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40.C55H38/c1-59(2)55-25-12-11-21-48(55)49-32-31-42(36-56(49)59)58-51-23-10-9-22-50(51)57(52-33-30-41(35-54(52)58)44-24-13-16-37-14-3-5-17-43(37)44)39-28-26-38(27-29-39)53-34-40-15-4-6-18-45(40)46-19-7-8-20-47(46)53;1-55(2)51-22-11-10-18-45(51)46-29-28-42(34-52(46)55)54-48-20-9-8-19-47(48)53(41-26-25-38-31-37(23-24-39(38)32-41)35-13-4-3-5-14-35)49-30-27-40(33-50(49)54)44-21-12-16-36-15-6-7-17-43(36)44/h3-36H,1-2H3;3-34H,1-2H3.

What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene?

9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene has a molecular weight of 1447.88 g/mol, XLogP of 31.70, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene is sourced from PubChem (CID 159596787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).