9-(9,9-dimethylfluoren-2-yl)-10-[3-[4-(9-methyl-9H-fluoren-2-yl)phenyl]naphthalen-1-yl]anthracene;9-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene

C118H82 — CID 159545649

About 9-(9,9-dimethylfluoren-2-yl)-10-[3-[4-(9-methyl-9H-fluoren-2-yl)phenyl]naphthalen-1-yl]anthracene;9-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene

9-(9,9-dimethylfluoren-2-yl)-10-[3-[4-(9-methyl-9H-fluoren-2-yl)phenyl]naphthalen-1-yl]anthracene;9-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene (PubChem CID 159545649) has the molecular formula C118H82 and a molecular weight of 1499.95 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-[3-[4-(9-methyl-9H-fluoren-2-yl)phenyl]naphthalen-1-yl]anthracene;9-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene.

Molecular Properties

• Compound Name: 9-(9,9-dimethylfluoren-2-yl)-10-[3-[4-(9-methyl-9H-fluoren-2-yl)phenyl]naphthalen-1-yl]anthracene;9-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene
• PubChem CID: 159545649
• Molecular Formula: C118H82
• Molecular Weight: 1499.95 g/mol
• Exact Mass: 1498.64
• IUPAC Name: 9-(9,9-dimethylfluoren-2-yl)-10-[3-[4-(9-methyl-9H-fluoren-2-yl)phenyl]naphthalen-1-yl]anthracene;9-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5c6ccccc6c(-c6cc7ccccc7c7ccccc67)c6ccccc56)c5ccccc5c4)cc3)cc21.CC1c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5c6ccccc6c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccccc56)c5ccccc5c4)cc3)cc21
• InChI: InChI=1S/C59H42.C59H40/c1-36-43-15-6-7-17-45(43)46-30-28-39(33-53(36)46)37-24-26-38(27-25-37)42-32-40-14-4-5-16-44(40)54(34-42)58-51-21-10-8-19-49(51)57(50-20-9-11-22-52(50)58)41-29-31-48-47-18-12-13-23-55(47)59(2,3)56(48)35-41;1-59(2)55-26-14-13-21-47(55)48-32-31-39(36-56(48)59)37-27-29-38(30-28-37)42-33-40-15-3-6-18-44(40)53(35-42)57-49-22-9-11-24-51(49)58(52-25-12-10-23-50(52)57)54-34-41-16-4-5-17-43(41)45-19-7-8-20-46(45)54/h4-36H,1-3H3;3-36H,1-2H3
• InChIKey: METNSSFQARIMQL-UHFFFAOYSA-N
• XLogP: 32.68
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1499.95
LogP ≤ 5	32.68
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)-10-[3-[4-(9-methyl-9H-fluoren-2-yl)phenyl]naphthalen-1-yl]anthracene;9-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene?

The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-[3-[4-(9-methyl-9H-fluoren-2-yl)phenyl]naphthalen-1-yl]anthracene;9-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene (CID 159545649) is 9-(9,9-dimethylfluoren-2-yl)-10-[3-[4-(9-methyl-9H-fluoren-2-yl)phenyl]naphthalen-1-yl]anthracene;9-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene.

What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-10-[3-[4-(9-methyl-9H-fluoren-2-yl)phenyl]naphthalen-1-yl]anthracene;9-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene?

The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-10-[3-[4-(9-methyl-9H-fluoren-2-yl)phenyl]naphthalen-1-yl]anthracene;9-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5c6ccccc6c(-c6cc7ccccc7c7ccccc67)c6ccccc56)c5ccccc5c4)cc3)cc21.CC1c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5c6ccccc6c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccccc56)c5ccccc5c4)cc3)cc21.

What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-10-[3-[4-(9-methyl-9H-fluoren-2-yl)phenyl]naphthalen-1-yl]anthracene;9-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene?

The InChIKey is METNSSFQARIMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42.C59H40/c1-36-43-15-6-7-17-45(43)46-30-28-39(33-53(36)46)37-24-26-38(27-25-37)42-32-40-14-4-5-16-44(40)54(34-42)58-51-21-10-8-19-49(51)57(50-20-9-11-22-52(50)58)41-29-31-48-47-18-12-13-23-55(47)59(2,3)56(48)35-41;1-59(2)55-26-14-13-21-47(55)48-32-31-39(36-56(48)59)37-27-29-38(30-28-37)42-33-40-15-3-6-18-44(40)53(35-42)57-49-22-9-11-24-51(49)58(52-25-12-10-23-50(52)57)54-34-41-16-4-5-17-43(41)45-19-7-8-20-46(45)54/h4-36H,1-3H3;3-36H,1-2H3.

What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-10-[3-[4-(9-methyl-9H-fluoren-2-yl)phenyl]naphthalen-1-yl]anthracene;9-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene?

9-(9,9-dimethylfluoren-2-yl)-10-[3-[4-(9-methyl-9H-fluoren-2-yl)phenyl]naphthalen-1-yl]anthracene;9-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene has a molecular weight of 1499.95 g/mol, XLogP of 32.68, 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)-10-[3-[4-(9-methyl-9H-fluoren-2-yl)phenyl]naphthalen-1-yl]anthracene;9-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene is sourced from PubChem (CID 159545649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).