9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene

C248H166 — CID 158699412

About 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene

9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene (PubChem CID 158699412) has the molecular formula C248H166 and a molecular weight of 3151.09 g/mol. Its IUPAC name is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene.

Molecular Properties

• Compound Name: 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
• PubChem CID: 158699412
• Molecular Formula: C248H166
• Molecular Weight: 3151.09 g/mol
• Exact Mass: 3148.33
• IUPAC Name: 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc3c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3c2)c([2H])c1[2H].c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5c6ccccc6c(-c6cc7ccccc7c7ccccc67)c6ccccc56)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cc5)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5)ccc34)cc2)cc1
• InChI: InChI=1S/C68H44.C66H42.C64H42.C50H38/c1-3-16-45(17-4-1)47-30-36-52(37-31-47)66-57-23-9-10-24-58(57)67(53-38-32-48(33-39-53)46-18-5-2-6-19-46)64-44-54(42-43-63(64)66)49-34-40-51(41-35-49)65-59-25-11-13-27-61(59)68(62-28-14-12-26-60(62)65)56-29-15-21-50-20-7-8-22-55(50)56;1-3-17-43(18-4-1)45-31-35-47(36-32-45)63-54-25-11-12-26-55(54)64(48-37-33-46(34-38-48)44-19-5-2-6-20-44)62-42-50(39-40-60(62)63)65-56-27-13-15-29-58(56)66(59-30-16-14-28-57(59)65)61-41-49-21-7-8-22-51(49)52-23-9-10-24-53(52)61;1-4-16-43(17-5-1)45-28-34-50(35-29-45)63-57-26-14-15-27-58(57)64(51-36-30-46(31-37-51)44-18-6-2-7-19-44)60-42-52(40-41-59(60)63)47-32-38-49(39-33-47)62-55-24-12-10-22-53(55)61(48-20-8-3-9-21-48)54-23-11-13-25-56(54)62;1-49(2)43-20-12-10-16-35(43)37-25-23-33(29-45(37)49)47-39-18-8-9-19-40(39)48(42-28-32(22-27-41(42)47)31-14-6-5-7-15-31)34-24-26-38-36-17-11-13-21-44(36)50(3,4)46(38)30-34/h1-44H;1-42H;1-42H;5-30H,1-4H3/i;;;5D,6D,7D,14D,15D
• InChIKey: IHISHSNUOUSETO-SDOCNJDISA-N
• XLogP: 69.30
• TPSA: 0.00 Ų
• Rotatable Bonds: 23
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3151.09
LogP ≤ 5	69.30
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 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene?

The IUPAC name of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene (CID 158699412) is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene.

What is the SMILES notation for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene?

The canonical SMILES for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene is [2H]c1c([2H])c([2H])c(-c2ccc3c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3c2)c([2H])c1[2H].c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5c6ccccc6c(-c6cc7ccccc7c7ccccc67)c6ccccc56)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cc5)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5)ccc34)cc2)cc1.

What is the InChIKey of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene?

The InChIKey is IHISHSNUOUSETO-SDOCNJDISA-N. The full InChI is InChI=1S/C68H44.C66H42.C64H42.C50H38/c1-3-16-45(17-4-1)47-30-36-52(37-31-47)66-57-23-9-10-24-58(57)67(53-38-32-48(33-39-53)46-18-5-2-6-19-46)64-44-54(42-43-63(64)66)49-34-40-51(41-35-49)65-59-25-11-13-27-61(59)68(62-28-14-12-26-60(62)65)56-29-15-21-50-20-7-8-22-55(50)56;1-3-17-43(18-4-1)45-31-35-47(36-32-45)63-54-25-11-12-26-55(54)64(48-37-33-46(34-38-48)44-19-5-2-6-20-44)62-42-50(39-40-60(62)63)65-56-27-13-15-29-58(56)66(59-30-16-14-28-57(59)65)61-41-49-21-7-8-22-51(49)52-23-9-10-24-53(52)61;1-4-16-43(17-5-1)45-28-34-50(35-29-45)63-57-26-14-15-27-58(57)64(51-36-30-46(31-37-51)44-18-6-2-7-19-44)60-42-52(40-41-59(60)63)47-32-38-49(39-33-47)62-55-24-12-10-22-53(55)61(48-20-8-3-9-21-48)54-23-11-13-25-56(54)62;1-49(2)43-20-12-10-16-35(43)37-25-23-33(29-45(37)49)47-39-18-8-9-19-40(39)48(42-28-32(22-27-41(42)47)31-14-6-5-7-15-31)34-24-26-38-36-17-11-13-21-44(36)50(3,4)46(38)30-34/h1-44H;1-42H;1-42H;5-30H,1-4H3/i;;;5D,6D,7D,14D,15D.

What are the key properties of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene?

9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene has a molecular weight of 3151.09 g/mol, XLogP of 69.30, 23 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-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene is sourced from PubChem (CID 158699412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).