9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene

C149H106 — CID 161463113

About 9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene

9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene (PubChem CID 161463113) has the molecular formula C149H106 and a molecular weight of 1896.49 g/mol. Its IUPAC name is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene.

Molecular Properties

• Compound Name: 9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene
• PubChem CID: 161463113
• Molecular Formula: C149H106
• Molecular Weight: 1896.49 g/mol
• Exact Mass: 1894.83
• IUPAC Name: 9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc6ccccc6c5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccccc5)c5cc(-c6ccccc6)ccc5c(-c5ccccc5)c4c3)cc21.c1ccc(-c2ccc3c(-c4ccc(-c5cccc6ccccc56)cc4)c4cc(-c5ccccc5)ccc4c(-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C54H40.C48H32.C47H34/c1-53(2)47-19-11-9-15-39(47)41-26-24-37(31-49(41)53)51-43-17-7-8-18-44(43)52(38-25-27-42-40-16-10-12-20-48(40)54(3,4)50(42)32-38)46-30-36(23-28-45(46)51)35-22-21-33-13-5-6-14-34(33)29-35;1-4-13-33(14-5-1)39-28-30-44-45(31-39)47(37-18-8-3-9-19-37)43-29-27-40(34-15-6-2-7-16-34)32-46(43)48(44)38-25-23-36(24-26-38)42-22-12-20-35-17-10-11-21-41(35)42;1-47(2)43-21-13-12-20-37(43)38-25-22-36(30-44(38)47)35-24-27-40-42(29-35)46(33-18-10-5-11-19-33)39-26-23-34(31-14-6-3-7-15-31)28-41(39)45(40)32-16-8-4-9-17-32/h5-32H,1-4H3;1-32H;3-30H,1-2H3
• InChIKey: WCBPPYBBQISUOS-UHFFFAOYSA-N
• XLogP: 41.21
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1896.49
LogP ≤ 5	41.21
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 9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene?

The IUPAC name of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene (CID 161463113) is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene.

What is the SMILES notation for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene?

The canonical SMILES for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc6ccccc6c5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccccc5)c5cc(-c6ccccc6)ccc5c(-c5ccccc5)c4c3)cc21.c1ccc(-c2ccc3c(-c4ccc(-c5cccc6ccccc56)cc4)c4cc(-c5ccccc5)ccc4c(-c4ccccc4)c3c2)cc1.

What is the InChIKey of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene?

The InChIKey is WCBPPYBBQISUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40.C48H32.C47H34/c1-53(2)47-19-11-9-15-39(47)41-26-24-37(31-49(41)53)51-43-17-7-8-18-44(43)52(38-25-27-42-40-16-10-12-20-48(40)54(3,4)50(42)32-38)46-30-36(23-28-45(46)51)35-22-21-33-13-5-6-14-34(33)29-35;1-4-13-33(14-5-1)39-28-30-44-45(31-39)47(37-18-8-3-9-19-37)43-29-27-40(34-15-6-2-7-16-34)32-46(43)48(44)38-25-23-36(24-26-38)42-22-12-20-35-17-10-11-21-41(35)42;1-47(2)43-21-13-12-20-37(43)38-25-22-36(30-44(38)47)35-24-27-40-42(29-35)46(33-18-10-5-11-19-33)39-26-23-34(31-14-6-3-7-15-31)28-41(39)45(40)32-16-8-4-9-17-32/h5-32H,1-4H3;1-32H;3-30H,1-2H3.

What are the key properties of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene?

9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene has a molecular weight of 1896.49 g/mol, XLogP of 41.21, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene is sourced from PubChem (CID 161463113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).