9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene

C220H144 — CID 159327894

About 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene

9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene (PubChem CID 159327894) has the molecular formula C220H144 and a molecular weight of 2787.57 g/mol. Its IUPAC name is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene.

Molecular Properties

• Compound Name: 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
• PubChem CID: 159327894
• Molecular Formula: C220H144
• Molecular Weight: 2787.57 g/mol
• Exact Mass: 2785.13
• IUPAC Name: 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc34)cc21.c1ccc(-c2c3ccccc3c(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c3ccccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)ccc34)ccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5c4ccc4ccccc45)cc3)ccc2c1
• InChI: InChI=1S/C64H46.C58H36.C54H34.C44H28/c1-63(2)55-28-16-14-20-43(55)45-33-30-41(37-57(45)63)61-51-26-12-13-27-52(51)62(42-31-34-46-44-21-15-17-29-56(44)64(3,4)58(46)38-42)54-36-40(32-35-53(54)61)60-49-24-10-8-22-47(49)59(39-18-6-5-7-19-39)48-23-9-11-25-50(48)60;1-3-17-40-34-42(30-28-37(40)14-1)55-47-21-7-8-22-48(47)57(43-31-29-38-15-2-4-18-41(38)35-43)54-36-44(32-33-53(54)55)56-49-23-9-11-25-51(49)58(52-26-12-10-24-50(52)56)46-27-13-19-39-16-5-6-20-45(39)46;1-2-16-37(17-3-1)51-43-20-8-10-22-45(43)53(46-23-11-9-21-44(46)51)42-30-31-49-50(34-42)54(41-29-27-36-15-5-7-19-39(36)33-41)48-25-13-12-24-47(48)52(49)40-28-26-35-14-4-6-18-38(35)32-40;1-3-12-34-27-36(23-19-29(34)9-1)31-17-21-33(22-18-31)42-39-15-7-8-16-40(39)43(37-24-20-30-10-2-4-13-35(30)28-37)44-38-14-6-5-11-32(38)25-26-41(42)44/h5-38H,1-4H3;1-36H;1-34H;1-28H
• InChIKey: LEPHBXRDSQBDJS-UHFFFAOYSA-N
• XLogP: 61.73
• TPSA: 0.00 Ų
• Rotatable Bonds: 15
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2787.57
LogP ≤ 5	61.73
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-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene?

The IUPAC name of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene (CID 159327894) is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene.

What is the SMILES notation for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene?

The canonical SMILES for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc34)cc21.c1ccc(-c2c3ccccc3c(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)c3ccccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)ccc34)ccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5c4ccc4ccccc45)cc3)ccc2c1.

What is the InChIKey of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene?

The InChIKey is LEPHBXRDSQBDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46.C58H36.C54H34.C44H28/c1-63(2)55-28-16-14-20-43(55)45-33-30-41(37-57(45)63)61-51-26-12-13-27-52(51)62(42-31-34-46-44-21-15-17-29-56(44)64(3,4)58(46)38-42)54-36-40(32-35-53(54)61)60-49-24-10-8-22-47(49)59(39-18-6-5-7-19-39)48-23-9-11-25-50(48)60;1-3-17-40-34-42(30-28-37(40)14-1)55-47-21-7-8-22-48(47)57(43-31-29-38-15-2-4-18-41(38)35-43)54-36-44(32-33-53(54)55)56-49-23-9-11-25-51(49)58(52-26-12-10-24-50(52)56)46-27-13-19-39-16-5-6-20-45(39)46;1-2-16-37(17-3-1)51-43-20-8-10-22-45(43)53(46-23-11-9-21-44(46)51)42-30-31-49-50(34-42)54(41-29-27-36-15-5-7-19-39(36)33-41)48-25-13-12-24-47(48)52(49)40-28-26-35-14-4-6-18-38(35)32-40;1-3-12-34-27-36(23-19-29(34)9-1)31-17-21-33(22-18-31)42-39-15-7-8-16-40(39)43(37-24-20-30-10-2-4-13-35(30)28-37)44-38-14-6-5-11-32(38)25-26-41(42)44/h5-38H,1-4H3;1-36H;1-34H;1-28H.

What are the key properties of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene?

9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene has a molecular weight of 2787.57 g/mol, XLogP of 61.73, 15 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-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene is sourced from PubChem (CID 159327894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).