5,12-bis(2,4-diphenylphenyl)tetracene;5,12-bis(3,5-diphenylphenyl)tetracene;5,11-dinaphthalen-2-yltetracene;N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]tetracen-5-yl]aniline

C200H134N2 — CID 158894633

About 5,12-bis(2,4-diphenylphenyl)tetracene;5,12-bis(3,5-diphenylphenyl)tetracene;5,11-dinaphthalen-2-yltetracene;N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]tetracen-5-yl]aniline

5,12-bis(2,4-diphenylphenyl)tetracene;5,12-bis(3,5-diphenylphenyl)tetracene;5,11-dinaphthalen-2-yltetracene;N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]tetracen-5-yl]aniline (PubChem CID 158894633) has the molecular formula C200H134N2 and a molecular weight of 2565.29 g/mol. Its IUPAC name is 5,12-bis(2,4-diphenylphenyl)tetracene;5,12-bis(3,5-diphenylphenyl)tetracene;5,11-dinaphthalen-2-yltetracene;N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]tetracen-5-yl]aniline.

Molecular Properties

• Compound Name: 5,12-bis(2,4-diphenylphenyl)tetracene;5,12-bis(3,5-diphenylphenyl)tetracene;5,11-dinaphthalen-2-yltetracene;N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]tetracen-5-yl]aniline
• PubChem CID: 158894633
• Molecular Formula: C200H134N2
• Molecular Weight: 2565.29 g/mol
• Exact Mass: 2563.05
• IUPAC Name: 5,12-bis(2,4-diphenylphenyl)tetracene;5,12-bis(3,5-diphenylphenyl)tetracene;5,11-dinaphthalen-2-yltetracene;N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]tetracen-5-yl]aniline
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc5ccccc5cc34)c2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c4cc5ccccc5cc34)c(-c3ccccc3)c2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4cc5ccccc5cc34)cc2)cc1.c1ccc2cc(-c3c4ccccc4cc4c(-c5ccc6ccccc6c5)c5ccccc5cc34)ccc2c1
• InChI: InChI=1S/C54H38N2.2C54H36.C38H24/c1-5-19-43(20-6-1)55(44-21-7-2-8-22-44)47-33-29-39(30-34-47)53-49-27-15-16-28-50(49)54(52-38-42-18-14-13-17-41(42)37-51(52)53)40-31-35-48(36-32-40)56(45-23-9-3-10-24-45)46-25-11-4-12-26-46;1-5-17-37(18-6-1)43-29-44(38-19-7-2-8-20-38)32-47(31-43)53-49-27-15-16-28-50(49)54(52-36-42-26-14-13-25-41(42)35-51(52)53)48-33-45(39-21-9-3-10-22-39)30-46(34-48)40-23-11-4-12-24-40;1-5-17-37(18-6-1)43-29-31-47(49(33-43)39-21-9-3-10-22-39)53-45-27-15-16-28-46(45)54(52-36-42-26-14-13-25-41(42)35-51(52)53)48-32-30-44(38-19-7-2-8-20-38)34-50(48)40-23-11-4-12-24-40;1-3-11-27-21-31(19-17-25(27)9-1)37-33-15-7-5-13-29(33)24-36-35(37)23-30-14-6-8-16-34(30)38(36)32-20-18-26-10-2-4-12-28(26)22-32/h1-38H;2*1-36H;1-24H
• InChIKey: JERIBXWQOPZYKO-UHFFFAOYSA-N
• XLogP: 56.50
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 22
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2565.29
LogP ≤ 5	56.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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(2,4-diphenylphenyl)tetracene;5,12-bis(3,5-diphenylphenyl)tetracene;5,11-dinaphthalen-2-yltetracene;N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]tetracen-5-yl]aniline?

The IUPAC name of 5,12-bis(2,4-diphenylphenyl)tetracene;5,12-bis(3,5-diphenylphenyl)tetracene;5,11-dinaphthalen-2-yltetracene;N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]tetracen-5-yl]aniline (CID 158894633) is 5,12-bis(2,4-diphenylphenyl)tetracene;5,12-bis(3,5-diphenylphenyl)tetracene;5,11-dinaphthalen-2-yltetracene;N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]tetracen-5-yl]aniline.

What is the SMILES notation for 5,12-bis(2,4-diphenylphenyl)tetracene;5,12-bis(3,5-diphenylphenyl)tetracene;5,11-dinaphthalen-2-yltetracene;N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]tetracen-5-yl]aniline?

The canonical SMILES for 5,12-bis(2,4-diphenylphenyl)tetracene;5,12-bis(3,5-diphenylphenyl)tetracene;5,11-dinaphthalen-2-yltetracene;N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]tetracen-5-yl]aniline is c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc5ccccc5cc34)c2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c4cc5ccccc5cc34)c(-c3ccccc3)c2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4cc5ccccc5cc34)cc2)cc1.c1ccc2cc(-c3c4ccccc4cc4c(-c5ccc6ccccc6c5)c5ccccc5cc34)ccc2c1.

What is the InChIKey of 5,12-bis(2,4-diphenylphenyl)tetracene;5,12-bis(3,5-diphenylphenyl)tetracene;5,11-dinaphthalen-2-yltetracene;N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]tetracen-5-yl]aniline?

The InChIKey is JERIBXWQOPZYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2.2C54H36.C38H24/c1-5-19-43(20-6-1)55(44-21-7-2-8-22-44)47-33-29-39(30-34-47)53-49-27-15-16-28-50(49)54(52-38-42-18-14-13-17-41(42)37-51(52)53)40-31-35-48(36-32-40)56(45-23-9-3-10-24-45)46-25-11-4-12-26-46;1-5-17-37(18-6-1)43-29-44(38-19-7-2-8-20-38)32-47(31-43)53-49-27-15-16-28-50(49)54(52-36-42-26-14-13-25-41(42)35-51(52)53)48-33-45(39-21-9-3-10-22-39)30-46(34-48)40-23-11-4-12-24-40;1-5-17-37(18-6-1)43-29-31-47(49(33-43)39-21-9-3-10-22-39)53-45-27-15-16-28-46(45)54(52-36-42-26-14-13-25-41(42)35-51(52)53)48-32-30-44(38-19-7-2-8-20-38)34-50(48)40-23-11-4-12-24-40;1-3-11-27-21-31(19-17-25(27)9-1)37-33-15-7-5-13-29(33)24-36-35(37)23-30-14-6-8-16-34(30)38(36)32-20-18-26-10-2-4-12-28(26)22-32/h1-38H;2*1-36H;1-24H.

What are the key properties of 5,12-bis(2,4-diphenylphenyl)tetracene;5,12-bis(3,5-diphenylphenyl)tetracene;5,11-dinaphthalen-2-yltetracene;N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]tetracen-5-yl]aniline?

5,12-bis(2,4-diphenylphenyl)tetracene;5,12-bis(3,5-diphenylphenyl)tetracene;5,11-dinaphthalen-2-yltetracene;N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]tetracen-5-yl]aniline has a molecular weight of 2565.29 g/mol, XLogP of 56.50, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,12-bis(2,4-diphenylphenyl)tetracene;5,12-bis(3,5-diphenylphenyl)tetracene;5,11-dinaphthalen-2-yltetracene;N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]tetracen-5-yl]aniline is sourced from PubChem (CID 158894633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).