2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene

C221H156 — CID 158638548

About 2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene

2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene (PubChem CID 158638548) has the molecular formula C221H156 and a molecular weight of 2811.68 g/mol. Its IUPAC name is 2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene.

Molecular Properties

• Compound Name: 2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
• PubChem CID: 158638548
• Molecular Formula: C221H156
• Molecular Weight: 2811.68 g/mol
• Exact Mass: 2809.22
• IUPAC Name: 2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
• SMILES: CC(C)(C)c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.Cc1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc6ccccc6c5)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5cccc6ccccc56)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)ccc34)cc2)cc1
• InChI: InChI=1S/2C48H32.C44H30.C42H34.C39H28/c1-3-12-33(13-4-1)35-22-26-38(27-23-35)47-43-19-9-10-20-44(43)48(39-28-24-36(25-29-39)34-14-5-2-6-15-34)46-32-40(30-31-45(46)47)42-21-11-17-37-16-7-8-18-41(37)42;1-3-11-33(12-4-1)36-19-24-38(25-20-36)47-43-17-9-10-18-44(43)48(39-26-21-37(22-27-39)34-13-5-2-6-14-34)46-32-42(29-30-45(46)47)41-28-23-35-15-7-8-16-40(35)31-41;1-4-12-31(13-5-1)34-20-24-36(25-21-34)43-39-18-10-11-19-40(39)44(37-26-22-35(23-27-37)32-14-6-2-7-15-32)42-30-38(28-29-41(42)43)33-16-8-3-9-17-33;1-42(2,3)35-26-27-38-39(28-35)41(34-24-20-32(21-25-34)30-14-8-5-9-15-30)37-17-11-10-16-36(37)40(38)33-22-18-31(19-23-33)29-12-6-4-7-13-29;1-27-16-25-36-37(26-27)39(33-23-19-31(20-24-33)29-12-6-3-7-13-29)35-15-9-8-14-34(35)38(36)32-21-17-30(18-22-32)28-10-4-2-5-11-28/h2*1-32H;1-30H;4-28H,1-3H3;2-26H,1H3
• InChIKey: IABQOWMGHFCTAP-UHFFFAOYSA-N
• XLogP: 62.22
• TPSA: 0.00 Ų
• Rotatable Bonds: 23
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2811.68
LogP ≤ 5	62.22
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 2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene?

The IUPAC name of 2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene (CID 158638548) is 2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene.

What is the SMILES notation for 2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene?

The canonical SMILES for 2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene is CC(C)(C)c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.Cc1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc6ccccc6c5)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5cccc6ccccc56)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)ccc34)cc2)cc1.

What is the InChIKey of 2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene?

The InChIKey is IABQOWMGHFCTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H32.C44H30.C42H34.C39H28/c1-3-12-33(13-4-1)35-22-26-38(27-23-35)47-43-19-9-10-20-44(43)48(39-28-24-36(25-29-39)34-14-5-2-6-15-34)46-32-40(30-31-45(46)47)42-21-11-17-37-16-7-8-18-41(37)42;1-3-11-33(12-4-1)36-19-24-38(25-20-36)47-43-17-9-10-18-44(43)48(39-26-21-37(22-27-39)34-13-5-2-6-14-34)46-32-42(29-30-45(46)47)41-28-23-35-15-7-8-16-40(35)31-41;1-4-12-31(13-5-1)34-20-24-36(25-21-34)43-39-18-10-11-19-40(39)44(37-26-22-35(23-27-37)32-14-6-2-7-15-32)42-30-38(28-29-41(42)43)33-16-8-3-9-17-33;1-42(2,3)35-26-27-38-39(28-35)41(34-24-20-32(21-25-34)30-14-8-5-9-15-30)37-17-11-10-16-36(37)40(38)33-22-18-31(19-23-33)29-12-6-4-7-13-29;1-27-16-25-36-37(26-27)39(33-23-19-31(20-24-33)29-12-6-3-7-13-29)35-15-9-8-14-34(35)38(36)32-21-17-30(18-22-32)28-10-4-2-5-11-28/h2*1-32H;1-30H;4-28H,1-3H3;2-26H,1H3.

What are the key properties of 2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene?

2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene has a molecular weight of 2811.68 g/mol, XLogP of 62.22, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene is sourced from PubChem (CID 158638548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).