2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracene;4-[10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracen-9-yl]benzo[a]anthracene

C203H168 — CID 159245455

About 2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracene;4-[10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracen-9-yl]benzo[a]anthracene

2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracene;4-[10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracen-9-yl]benzo[a]anthracene (PubChem CID 159245455) has the molecular formula C203H168 and a molecular weight of 2607.58 g/mol. Its IUPAC name is 2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracene;4-[10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracen-9-yl]benzo[a]anthracene.

Molecular Properties

• Compound Name: 2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracene;4-[10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracen-9-yl]benzo[a]anthracene
• PubChem CID: 159245455
• Molecular Formula: C203H168
• Molecular Weight: 2607.58 g/mol
• Exact Mass: 2605.31
• IUPAC Name: 2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracene;4-[10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracen-9-yl]benzo[a]anthracene
• SMILES: CC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3cc(C(C)(C)C)ccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c2c1.CC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3cc(C(C)(C)C)ccc3c(-c3cccc(-c4cccc(-c5ccc6ccccc6c5)c4)c3)c2c1.CC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3cc(C(C)(C)C)ccc3c(-c3cccc(-c4cccc5ccccc45)c3)c2c1.CC(C)(c1ccccc1)c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5c4ccc4cc6ccccc6cc45)c4ccccc34)c2)cc1
• InChI: InChI=1S/C54H46.C53H38.2C48H42/c1-53(2,3)45-26-28-48-49(33-45)51(47-27-25-46(54(4,5)6)34-50(47)52(48)44-24-22-36-14-8-10-16-38(36)31-44)43-20-12-19-41(32-43)39-17-11-18-40(30-39)42-23-21-35-13-7-9-15-37(35)29-42;1-53(2,41-18-4-3-5-19-41)42-29-26-35(27-30-42)36-16-12-17-40(33-36)51-46-20-8-10-22-48(46)52(49-23-11-9-21-47(49)51)45-25-13-24-43-44(45)31-28-39-32-37-14-6-7-15-38(37)34-50(39)43;1-47(2,3)39-23-25-42-43(29-39)45(37-17-11-16-35(28-37)36-20-18-31-12-7-9-14-33(31)26-36)41-24-22-40(48(4,5)6)30-44(41)46(42)38-21-19-32-13-8-10-15-34(32)27-38;1-47(2,3)37-24-26-42-43(29-37)45(35-18-11-17-34(28-35)40-20-12-16-32-14-9-10-19-39(32)40)41-25-23-38(48(4,5)6)30-44(41)46(42)36-22-21-31-13-7-8-15-33(31)27-36/h7-34H,1-6H3;3-34H,1-2H3;2*7-30H,1-6H3
• InChIKey: KUPXAXNOGDUWTL-UHFFFAOYSA-N
• XLogP: 58.13
• TPSA: 0.00 Ų
• Rotatable Bonds: 15
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2607.58
LogP ≤ 5	58.13
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 2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracene;4-[10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracen-9-yl]benzo[a]anthracene?

The IUPAC name of 2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracene;4-[10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracen-9-yl]benzo[a]anthracene (CID 159245455) is 2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracene;4-[10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracen-9-yl]benzo[a]anthracene.

What is the SMILES notation for 2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracene;4-[10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracen-9-yl]benzo[a]anthracene?

The canonical SMILES for 2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracene;4-[10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracen-9-yl]benzo[a]anthracene is CC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3cc(C(C)(C)C)ccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c2c1.CC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3cc(C(C)(C)C)ccc3c(-c3cccc(-c4cccc(-c5ccc6ccccc6c5)c4)c3)c2c1.CC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3cc(C(C)(C)C)ccc3c(-c3cccc(-c4cccc5ccccc45)c3)c2c1.CC(C)(c1ccccc1)c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5c4ccc4cc6ccccc6cc45)c4ccccc34)c2)cc1.

What is the InChIKey of 2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracene;4-[10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracen-9-yl]benzo[a]anthracene?

The InChIKey is KUPXAXNOGDUWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46.C53H38.2C48H42/c1-53(2,3)45-26-28-48-49(33-45)51(47-27-25-46(54(4,5)6)34-50(47)52(48)44-24-22-36-14-8-10-16-38(36)31-44)43-20-12-19-41(32-43)39-17-11-18-40(30-39)42-23-21-35-13-7-9-15-37(35)29-42;1-53(2,41-18-4-3-5-19-41)42-29-26-35(27-30-42)36-16-12-17-40(33-36)51-46-20-8-10-22-48(46)52(49-23-11-9-21-47(49)51)45-25-13-24-43-44(45)31-28-39-32-37-14-6-7-15-38(37)34-50(39)43;1-47(2,3)39-23-25-42-43(29-39)45(37-17-11-16-35(28-37)36-20-18-31-12-7-9-14-33(31)26-36)41-24-22-40(48(4,5)6)30-44(41)46(42)38-21-19-32-13-8-10-15-34(32)27-38;1-47(2,3)37-24-26-42-43(29-37)45(35-18-11-17-34(28-35)40-20-12-16-32-14-9-10-19-39(32)40)41-25-23-38(48(4,5)6)30-44(41)46(42)36-22-21-31-13-7-8-15-33(31)27-36/h7-34H,1-6H3;3-34H,1-2H3;2*7-30H,1-6H3.

What are the key properties of 2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracene;4-[10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracen-9-yl]benzo[a]anthracene?

2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracene;4-[10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracen-9-yl]benzo[a]anthracene has a molecular weight of 2607.58 g/mol, XLogP of 58.13, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-2-yl-10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracene;4-[10-[3-[4-(2-phenylpropan-2-yl)phenyl]phenyl]anthracen-9-yl]benzo[a]anthracene is sourced from PubChem (CID 159245455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).