9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene

C109H76 — CID 160542211

About 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene

9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene (PubChem CID 160542211) has the molecular formula C109H76 and a molecular weight of 1385.81 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene.

Molecular Properties

• Compound Name: 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene
• PubChem CID: 160542211
• Molecular Formula: C109H76
• Molecular Weight: 1385.81 g/mol
• Exact Mass: 1384.59
• IUPAC Name: 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene
• SMILES: CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5cccc6ccccc56)ccc34)ccc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccc(-c5cccc6ccccc56)cc34)cc21
• InChI: InChI=1S/C55H36.C54H40/c1-55(2)50-24-10-9-18-40(50)41-27-26-35(32-51(41)55)52-43-19-7-8-20-44(43)54(47-30-29-46-39-17-6-5-16-38(39)42-22-12-23-45(47)53(42)46)48-28-25-34(31-49(48)52)37-21-11-14-33-13-3-4-15-36(33)37;1-53(2)48-23-12-10-18-40(48)45-31-35(26-29-49(45)53)51-42-19-7-8-20-43(42)52(36-25-27-41-39-17-9-11-22-47(39)54(3,4)50(41)32-36)46-30-34(24-28-44(46)51)38-21-13-15-33-14-5-6-16-37(33)38/h3-32H,1-2H3;5-32H,1-4H3
• InChIKey: QWXYCUOKKPYEMN-UHFFFAOYSA-N
• XLogP: 30.01
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1385.81
LogP ≤ 5	30.01
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 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene?

The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene (CID 160542211) is 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene.

What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene?

The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5cccc6ccccc56)ccc34)ccc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4ccc(-c5cccc6ccccc56)cc34)cc21.

What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene?

The InChIKey is QWXYCUOKKPYEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36.C54H40/c1-55(2)50-24-10-9-18-40(50)41-27-26-35(32-51(41)55)52-43-19-7-8-20-44(43)54(47-30-29-46-39-17-6-5-16-38(39)42-22-12-23-45(47)53(42)46)48-28-25-34(31-49(48)52)37-21-11-14-33-13-3-4-15-36(33)37;1-53(2)48-23-12-10-18-40(48)45-31-35(26-29-49(45)53)51-42-19-7-8-20-43(42)52(36-25-27-41-39-17-9-11-22-47(39)54(3,4)50(41)32-36)46-30-34(24-28-44(46)51)38-21-13-15-33-14-5-6-16-37(33)38/h3-32H,1-2H3;5-32H,1-4H3.

What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene?

9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene has a molecular weight of 1385.81 g/mol, XLogP of 30.01, 6 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-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene is sourced from PubChem (CID 160542211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).