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

C147H96 — CID 162036114

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

2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene (PubChem CID 162036114) has the molecular formula C147H96 and a molecular weight of 1862.38 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene.

Molecular Properties

• Compound Name: 2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene
• PubChem CID: 162036114
• Molecular Formula: C147H96
• Molecular Weight: 1862.38 g/mol
• Exact Mass: 1860.75
• IUPAC Name: 2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc21.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cc6ccccc6c6ccccc56)ccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc34)ccc2c1
• InChI: InChI=1S/C50H32.C49H34.C48H30/c1-3-13-38-30-41(26-22-33(38)10-1)49-45-17-7-8-18-46(45)50(42-27-23-34-11-2-4-14-39(34)31-42)48-32-40(28-29-47(48)49)35-20-24-37(25-21-35)44-19-9-15-36-12-5-6-16-43(36)44;1-49(2)45-18-10-9-15-39(45)40-25-23-36(30-46(40)49)35-24-26-43-44(29-35)48(38-22-20-32-12-4-6-14-34(32)28-38)42-17-8-7-16-41(42)47(43)37-21-19-31-11-3-5-13-33(31)27-37;1-3-13-33-27-37(23-21-31(33)11-1)47-42-19-9-10-20-43(42)48(38-24-22-32-12-2-4-14-34(32)28-38)46-30-36(25-26-44(46)47)45-29-35-15-5-6-16-39(35)40-17-7-8-18-41(40)45/h1-32H;3-30H,1-2H3;1-30H
• InChIKey: YWQXTSLJKKKASX-UHFFFAOYSA-N
• XLogP: 41.33
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1862.38
LogP ≤ 5	41.33
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 2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene?

The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene (CID 162036114) is 2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene.

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

The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc21.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cc6ccccc6c6ccccc56)ccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc34)ccc2c1.

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

The InChIKey is YWQXTSLJKKKASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32.C49H34.C48H30/c1-3-13-38-30-41(26-22-33(38)10-1)49-45-17-7-8-18-46(45)50(42-27-23-34-11-2-4-14-39(34)31-42)48-32-40(28-29-47(48)49)35-20-24-37(25-21-35)44-19-9-15-36-12-5-6-16-43(36)44;1-49(2)45-18-10-9-15-39(45)40-25-23-36(30-46(40)49)35-24-26-43-44(29-35)48(38-22-20-32-12-4-6-14-34(32)28-38)42-17-8-7-16-41(42)47(43)37-21-19-31-11-3-5-13-33(31)27-37;1-3-13-33-27-37(23-21-31(33)11-1)47-42-19-9-10-20-43(42)48(38-24-22-32-12-2-4-14-34(32)28-38)46-30-36(25-26-44(46)47)45-29-35-15-5-6-16-39(35)40-17-7-8-18-41(40)45/h1-32H;3-30H,1-2H3;1-30H.

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

2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene has a molecular weight of 1862.38 g/mol, XLogP of 41.33, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene is sourced from PubChem (CID 162036114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).