5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;2,3,8,9-tetramethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene;2,3,8-trimethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene

C165H162 — CID 163430298

About 5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;2,3,8,9-tetramethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene;2,3,8-trimethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene

5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;2,3,8,9-tetramethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene;2,3,8-trimethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene (PubChem CID 163430298) has the molecular formula C165H162 and a molecular weight of 2145.11 g/mol. Its IUPAC name is 5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;2,3,8,9-tetramethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene;2,3,8-trimethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene.

Molecular Properties

• Compound Name: 5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;2,3,8,9-tetramethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene;2,3,8-trimethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene
• PubChem CID: 163430298
• Molecular Formula: C165H162
• Molecular Weight: 2145.11 g/mol
• Exact Mass: 2143.27
• IUPAC Name: 5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;2,3,8,9-tetramethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene;2,3,8-trimethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene
• SMILES: CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccc(C(C)(C)C)cc4)c4ccccc4c(-c4ccccc4)c23)cc1.Cc1cc2c(-c3ccc(C(C)C)cc3)c3c(-c4ccc(C(C)C)cc4)c4cc(C)c(C)cc4c(-c4ccc(C(C)C)cc4)c3c(-c3ccc(C(C)C)cc3)c2cc1C.Cc1ccc2c(-c3ccc(C(C)C)cc3)c3c(-c4ccc(C(C)C)cc4)c4cc(C)c(C)cc4c(-c4ccc(C(C)C)cc4)c3c(-c3ccc(C(C)C)cc3)c2c1
• InChI: InChI=1S/C58H60.C57H58.C50H44/c1-33(2)41-13-21-45(22-14-41)53-49-29-37(9)38(10)30-50(49)55(47-25-17-43(18-26-47)35(5)6)58-56(48-27-19-44(20-28-48)36(7)8)52-32-40(12)39(11)31-51(52)54(57(53)58)46-23-15-42(16-24-46)34(3)4;1-33(2)40-13-21-44(22-14-40)52-48-29-12-37(9)30-49(48)53(45-23-15-41(16-24-45)34(3)4)57-55(47-27-19-43(20-28-47)36(7)8)51-32-39(11)38(10)31-50(51)54(56(52)57)46-25-17-42(18-26-46)35(5)6;1-49(2,3)37-29-25-35(26-30-37)45-41-23-15-13-21-39(41)44(34-19-11-8-12-20-34)48-46(36-27-31-38(32-28-36)50(4,5)6)42-24-16-14-22-40(42)43(47(45)48)33-17-9-7-10-18-33/h13-36H,1-12H3;12-36H,1-11H3;7-32H,1-6H3
• InChIKey: APXCXAMXKXIWNV-UHFFFAOYSA-N
• XLogP: 49.18
• TPSA: 0.00 Ų
• Rotatable Bonds: 20
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2145.11
LogP ≤ 5	49.18
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 5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;2,3,8,9-tetramethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene;2,3,8-trimethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene?

The IUPAC name of 5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;2,3,8,9-tetramethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene;2,3,8-trimethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene (CID 163430298) is 5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;2,3,8,9-tetramethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene;2,3,8-trimethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene.

What is the SMILES notation for 5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;2,3,8,9-tetramethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene;2,3,8-trimethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene?

The canonical SMILES for 5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;2,3,8,9-tetramethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene;2,3,8-trimethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccc(C(C)(C)C)cc4)c4ccccc4c(-c4ccccc4)c23)cc1.Cc1cc2c(-c3ccc(C(C)C)cc3)c3c(-c4ccc(C(C)C)cc4)c4cc(C)c(C)cc4c(-c4ccc(C(C)C)cc4)c3c(-c3ccc(C(C)C)cc3)c2cc1C.Cc1ccc2c(-c3ccc(C(C)C)cc3)c3c(-c4ccc(C(C)C)cc4)c4cc(C)c(C)cc4c(-c4ccc(C(C)C)cc4)c3c(-c3ccc(C(C)C)cc3)c2c1.

What is the InChIKey of 5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;2,3,8,9-tetramethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene;2,3,8-trimethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene?

The InChIKey is APXCXAMXKXIWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H60.C57H58.C50H44/c1-33(2)41-13-21-45(22-14-41)53-49-29-37(9)38(10)30-50(49)55(47-25-17-43(18-26-47)35(5)6)58-56(48-27-19-44(20-28-48)36(7)8)52-32-40(12)39(11)31-51(52)54(57(53)58)46-23-15-42(16-24-46)34(3)4;1-33(2)40-13-21-44(22-14-40)52-48-29-12-37(9)30-49(48)53(45-23-15-41(16-24-45)34(3)4)57-55(47-27-19-43(20-28-47)36(7)8)51-32-39(11)38(10)31-50(51)54(56(52)57)46-25-17-42(18-26-46)35(5)6;1-49(2,3)37-29-25-35(26-30-37)45-41-23-15-13-21-39(41)44(34-19-11-8-12-20-34)48-46(36-27-31-38(32-28-36)50(4,5)6)42-24-16-14-22-40(42)43(47(45)48)33-17-9-7-10-18-33/h13-36H,1-12H3;12-36H,1-11H3;7-32H,1-6H3.

What are the key properties of 5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;2,3,8,9-tetramethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene;2,3,8-trimethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene?

5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;2,3,8,9-tetramethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene;2,3,8-trimethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene has a molecular weight of 2145.11 g/mol, XLogP of 49.18, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;2,3,8,9-tetramethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene;2,3,8-trimethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene is sourced from PubChem (CID 163430298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).