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

C172H176 — CID 163855080

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

5,11-bis(4-tert-butylphenyl)-2,3,8,9-tetramethyl-6,12-diphenyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-dimethyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene (PubChem CID 163855080) has the molecular formula C172H176 and a molecular weight of 2243.30 g/mol. Its IUPAC name is 5,11-bis(4-tert-butylphenyl)-2,3,8,9-tetramethyl-6,12-diphenyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-dimethyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene.

Molecular Properties

• Compound Name: 5,11-bis(4-tert-butylphenyl)-2,3,8,9-tetramethyl-6,12-diphenyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-dimethyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene
• PubChem CID: 163855080
• Molecular Formula: C172H176
• Molecular Weight: 2243.30 g/mol
• Exact Mass: 2241.38
• IUPAC Name: 5,11-bis(4-tert-butylphenyl)-2,3,8,9-tetramethyl-6,12-diphenyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-dimethyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene
• SMILES: CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(C(C)(C)C)cc3)c3c(-c4ccc(C(C)(C)C)cc4)c4ccccc4c(-c4ccc(C(C)(C)C)cc4)c23)cc1.Cc1cc2c(-c3ccccc3)c3c(-c4ccc(C(C)(C)C)cc4)c4cc(C)c(C)cc4c(-c4ccccc4)c3c(-c3ccc(C(C)(C)C)cc3)c2cc1C.Cc1ccc2c(-c3ccc(C(C)(C)C)cc3)c3c(-c4ccc(C(C)(C)C)cc4)c4cc(C)ccc4c(-c4ccc(C(C)(C)C)cc4)c3c(-c3ccc(C(C)(C)C)cc3)c2c1
• InChI: InChI=1S/C60H64.C58H60.C54H52/c1-37-15-33-47-49(35-37)53(41-21-29-45(30-22-41)59(9,10)11)55-52(40-19-27-44(28-20-40)58(6,7)8)48-34-16-38(2)36-50(48)54(42-23-31-46(32-24-42)60(12,13)14)56(55)51(47)39-17-25-43(26-18-39)57(3,4)5;1-55(2,3)41-29-21-37(22-30-41)49-45-17-13-14-18-46(45)51(39-25-33-43(34-26-39)57(7,8)9)54-52(40-27-35-44(36-28-40)58(10,11)12)48-20-16-15-19-47(48)50(53(49)54)38-23-31-42(32-24-38)56(4,5)6;1-33-29-43-45(31-35(33)3)49(39-21-25-41(26-22-39)53(5,6)7)52-48(38-19-15-12-16-20-38)44-30-34(2)36(4)32-46(44)50(40-23-27-42(28-24-40)54(8,9)10)51(52)47(43)37-17-13-11-14-18-37/h15-36H,1-14H3;13-36H,1-12H3;11-32H,1-10H3
• InChIKey: OXPOKRXFJFGHFE-UHFFFAOYSA-N
• XLogP: 50.27
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2243.30
LogP ≤ 5	50.27
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)-2,3,8,9-tetramethyl-6,12-diphenyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-dimethyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene?

The IUPAC name of 5,11-bis(4-tert-butylphenyl)-2,3,8,9-tetramethyl-6,12-diphenyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-dimethyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene (CID 163855080) is 5,11-bis(4-tert-butylphenyl)-2,3,8,9-tetramethyl-6,12-diphenyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-dimethyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene.

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

The canonical SMILES for 5,11-bis(4-tert-butylphenyl)-2,3,8,9-tetramethyl-6,12-diphenyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-dimethyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(C(C)(C)C)cc3)c3c(-c4ccc(C(C)(C)C)cc4)c4ccccc4c(-c4ccc(C(C)(C)C)cc4)c23)cc1.Cc1cc2c(-c3ccccc3)c3c(-c4ccc(C(C)(C)C)cc4)c4cc(C)c(C)cc4c(-c4ccccc4)c3c(-c3ccc(C(C)(C)C)cc3)c2cc1C.Cc1ccc2c(-c3ccc(C(C)(C)C)cc3)c3c(-c4ccc(C(C)(C)C)cc4)c4cc(C)ccc4c(-c4ccc(C(C)(C)C)cc4)c3c(-c3ccc(C(C)(C)C)cc3)c2c1.

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

The InChIKey is OXPOKRXFJFGHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H64.C58H60.C54H52/c1-37-15-33-47-49(35-37)53(41-21-29-45(30-22-41)59(9,10)11)55-52(40-19-27-44(28-20-40)58(6,7)8)48-34-16-38(2)36-50(48)54(42-23-31-46(32-24-42)60(12,13)14)56(55)51(47)39-17-25-43(26-18-39)57(3,4)5;1-55(2,3)41-29-21-37(22-30-41)49-45-17-13-14-18-46(45)51(39-25-33-43(34-26-39)57(7,8)9)54-52(40-27-35-44(36-28-40)58(10,11)12)48-20-16-15-19-47(48)50(53(49)54)38-23-31-42(32-24-38)56(4,5)6;1-33-29-43-45(31-35(33)3)49(39-21-25-41(26-22-39)53(5,6)7)52-48(38-19-15-12-16-20-38)44-30-34(2)36(4)32-46(44)50(40-23-27-42(28-24-40)54(8,9)10)51(52)47(43)37-17-13-11-14-18-37/h15-36H,1-14H3;13-36H,1-12H3;11-32H,1-10H3.

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

5,11-bis(4-tert-butylphenyl)-2,3,8,9-tetramethyl-6,12-diphenyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-dimethyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene has a molecular weight of 2243.30 g/mol, XLogP of 50.27, 12 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)-2,3,8,9-tetramethyl-6,12-diphenyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-dimethyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene is sourced from PubChem (CID 163855080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).