5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene

C96H64 — CID 162258725

About 5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene

5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene (PubChem CID 162258725) has the molecular formula C96H64 and a molecular weight of 1217.57 g/mol. Its IUPAC name is 5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene.

Molecular Properties

• Compound Name: 5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene
• PubChem CID: 162258725
• Molecular Formula: C96H64
• Molecular Weight: 1217.57 g/mol
• Exact Mass: 1216.50
• IUPAC Name: 5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene
• SMILES: c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c4cc5ccccc5cc34)c(-c3ccccc3)c2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc5ccccc5cc34)cc2)cc1
• InChI: InChI=1S/C54H36.C42H28/c1-5-17-37(18-6-1)43-29-32-48(50(33-43)40-23-11-4-12-24-40)54-47-28-16-15-27-46(47)53(51-34-41-25-13-14-26-42(41)35-52(51)54)44-30-31-45(38-19-7-2-8-20-38)49(36-44)39-21-9-3-10-22-39;1-3-11-29(12-4-1)31-19-23-33(24-20-31)41-37-17-9-10-18-38(37)42(40-28-36-16-8-7-15-35(36)27-39(40)41)34-25-21-32(22-26-34)30-13-5-2-6-14-30/h1-36H;1-28H
• InChIKey: ZYYCEWFOBPEZQC-UHFFFAOYSA-N
• XLogP: 26.96
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1217.57
LogP ≤ 5	26.96
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 5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene?

The IUPAC name of 5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene (CID 162258725) is 5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene.

What is the SMILES notation for 5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene?

The canonical SMILES for 5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c4cc5ccccc5cc34)c(-c3ccccc3)c2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc5ccccc5cc34)cc2)cc1.

What is the InChIKey of 5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene?

The InChIKey is ZYYCEWFOBPEZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36.C42H28/c1-5-17-37(18-6-1)43-29-32-48(50(33-43)40-23-11-4-12-24-40)54-47-28-16-15-27-46(47)53(51-34-41-25-13-14-26-42(41)35-52(51)54)44-30-31-45(38-19-7-2-8-20-38)49(36-44)39-21-9-3-10-22-39;1-3-11-29(12-4-1)31-19-23-33(24-20-31)41-37-17-9-10-18-38(37)42(40-28-36-16-8-7-15-35(36)27-39(40)41)34-25-21-32(22-26-34)30-13-5-2-6-14-30/h1-36H;1-28H.

What are the key properties of 5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene?

5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene has a molecular weight of 1217.57 g/mol, XLogP of 26.96, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene is sourced from PubChem (CID 162258725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).