5-naphthalen-2-yl-8,13-bis(4-naphthalen-1-ylphenyl)-6,11-diphenylbenzo[a]tetracene;5-naphthalen-2-yl-6,8,11,13-tetraphenylbenzo[a]tetracene;5,8,13-trinaphthalen-2-yl-6,11-diphenylbenzo[a]tetracene

C196H124 — CID 158939837

About 5-naphthalen-2-yl-8,13-bis(4-naphthalen-1-ylphenyl)-6,11-diphenylbenzo[a]tetracene;5-naphthalen-2-yl-6,8,11,13-tetraphenylbenzo[a]tetracene;5,8,13-trinaphthalen-2-yl-6,11-diphenylbenzo[a]tetracene

5-naphthalen-2-yl-8,13-bis(4-naphthalen-1-ylphenyl)-6,11-diphenylbenzo[a]tetracene;5-naphthalen-2-yl-6,8,11,13-tetraphenylbenzo[a]tetracene;5,8,13-trinaphthalen-2-yl-6,11-diphenylbenzo[a]tetracene (PubChem CID 158939837) has the molecular formula C196H124 and a molecular weight of 2479.15 g/mol. Its IUPAC name is 5-naphthalen-2-yl-8,13-bis(4-naphthalen-1-ylphenyl)-6,11-diphenylbenzo[a]tetracene;5-naphthalen-2-yl-6,8,11,13-tetraphenylbenzo[a]tetracene;5,8,13-trinaphthalen-2-yl-6,11-diphenylbenzo[a]tetracene.

Molecular Properties

• Compound Name: 5-naphthalen-2-yl-8,13-bis(4-naphthalen-1-ylphenyl)-6,11-diphenylbenzo[a]tetracene;5-naphthalen-2-yl-6,8,11,13-tetraphenylbenzo[a]tetracene;5,8,13-trinaphthalen-2-yl-6,11-diphenylbenzo[a]tetracene
• PubChem CID: 158939837
• Molecular Formula: C196H124
• Molecular Weight: 2479.15 g/mol
• Exact Mass: 2476.97
• IUPAC Name: 5-naphthalen-2-yl-8,13-bis(4-naphthalen-1-ylphenyl)-6,11-diphenylbenzo[a]tetracene;5-naphthalen-2-yl-6,8,11,13-tetraphenylbenzo[a]tetracene;5,8,13-trinaphthalen-2-yl-6,11-diphenylbenzo[a]tetracene
• SMILES: c1ccc(-c2ccc3c(-c4ccc(-c5cccc6ccccc56)cc4)c4cc5c(-c6ccccc6)c(-c6ccc7ccccc7c6)c6ccccc6c5cc4c(-c4ccc(-c5cccc6ccccc56)cc4)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4cc5c(-c6ccccc6)c(-c6ccc7ccccc7c6)c6ccccc6c5cc4c(-c4ccc5ccccc5c4)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c4cc5c(-c6ccccc6)c(-c6ccc7ccccc7c6)c6ccccc6c5cc4c(-c4ccccc4)c3c2)cc1
• InChI: InChI=1S/C76H48.C64H40.C56H36/c1-3-17-49(18-4-1)59-43-44-67-69(46-59)74(57-40-36-54(37-41-57)64-32-16-26-52-21-10-12-28-62(52)64)71-47-68-65-29-13-14-30-66(65)76(60-42-33-50-19-7-8-24-58(50)45-60)75(55-22-5-2-6-23-55)70(68)48-72(71)73(67)56-38-34-53(35-39-56)63-31-15-25-51-20-9-11-27-61(51)63;1-3-15-41(16-4-1)49-33-34-55-57(38-49)62(51-31-28-43-18-8-11-23-47(43)36-51)59-39-56-53-25-13-14-26-54(53)64(52-32-29-44-19-9-12-24-48(44)37-52)63(45-20-5-2-6-21-45)58(56)40-60(59)61(55)50-30-27-42-17-7-10-22-46(42)35-50;1-5-17-37(18-6-1)43-31-32-47-49(34-43)54(40-22-9-3-10-23-40)51-35-48-45-27-15-16-28-46(45)56(44-30-29-38-19-13-14-26-42(38)33-44)55(41-24-11-4-12-25-41)50(48)36-52(51)53(47)39-20-7-2-8-21-39/h1-48H;1-40H;1-36H
• InChIKey: JKCNFWJNWDTYAQ-UHFFFAOYSA-N
• XLogP: 55.31
• TPSA: 0.00 Ų
• Rotatable Bonds: 17
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2479.15
LogP ≤ 5	55.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-8,13-bis(4-naphthalen-1-ylphenyl)-6,11-diphenylbenzo[a]tetracene;5-naphthalen-2-yl-6,8,11,13-tetraphenylbenzo[a]tetracene;5,8,13-trinaphthalen-2-yl-6,11-diphenylbenzo[a]tetracene?

The IUPAC name of 5-naphthalen-2-yl-8,13-bis(4-naphthalen-1-ylphenyl)-6,11-diphenylbenzo[a]tetracene;5-naphthalen-2-yl-6,8,11,13-tetraphenylbenzo[a]tetracene;5,8,13-trinaphthalen-2-yl-6,11-diphenylbenzo[a]tetracene (CID 158939837) is 5-naphthalen-2-yl-8,13-bis(4-naphthalen-1-ylphenyl)-6,11-diphenylbenzo[a]tetracene;5-naphthalen-2-yl-6,8,11,13-tetraphenylbenzo[a]tetracene;5,8,13-trinaphthalen-2-yl-6,11-diphenylbenzo[a]tetracene.

What is the SMILES notation for 5-naphthalen-2-yl-8,13-bis(4-naphthalen-1-ylphenyl)-6,11-diphenylbenzo[a]tetracene;5-naphthalen-2-yl-6,8,11,13-tetraphenylbenzo[a]tetracene;5,8,13-trinaphthalen-2-yl-6,11-diphenylbenzo[a]tetracene?

The canonical SMILES for 5-naphthalen-2-yl-8,13-bis(4-naphthalen-1-ylphenyl)-6,11-diphenylbenzo[a]tetracene;5-naphthalen-2-yl-6,8,11,13-tetraphenylbenzo[a]tetracene;5,8,13-trinaphthalen-2-yl-6,11-diphenylbenzo[a]tetracene is c1ccc(-c2ccc3c(-c4ccc(-c5cccc6ccccc56)cc4)c4cc5c(-c6ccccc6)c(-c6ccc7ccccc7c6)c6ccccc6c5cc4c(-c4ccc(-c5cccc6ccccc56)cc4)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4cc5c(-c6ccccc6)c(-c6ccc7ccccc7c6)c6ccccc6c5cc4c(-c4ccc5ccccc5c4)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c4cc5c(-c6ccccc6)c(-c6ccc7ccccc7c6)c6ccccc6c5cc4c(-c4ccccc4)c3c2)cc1.

What is the InChIKey of 5-naphthalen-2-yl-8,13-bis(4-naphthalen-1-ylphenyl)-6,11-diphenylbenzo[a]tetracene;5-naphthalen-2-yl-6,8,11,13-tetraphenylbenzo[a]tetracene;5,8,13-trinaphthalen-2-yl-6,11-diphenylbenzo[a]tetracene?

The InChIKey is JKCNFWJNWDTYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48.C64H40.C56H36/c1-3-17-49(18-4-1)59-43-44-67-69(46-59)74(57-40-36-54(37-41-57)64-32-16-26-52-21-10-12-28-62(52)64)71-47-68-65-29-13-14-30-66(65)76(60-42-33-50-19-7-8-24-58(50)45-60)75(55-22-5-2-6-23-55)70(68)48-72(71)73(67)56-38-34-53(35-39-56)63-31-15-25-51-20-9-11-27-61(51)63;1-3-15-41(16-4-1)49-33-34-55-57(38-49)62(51-31-28-43-18-8-11-23-47(43)36-51)59-39-56-53-25-13-14-26-54(53)64(52-32-29-44-19-9-12-24-48(44)37-52)63(45-20-5-2-6-21-45)58(56)40-60(59)61(55)50-30-27-42-17-7-10-22-46(42)35-50;1-5-17-37(18-6-1)43-31-32-47-49(34-43)54(40-22-9-3-10-23-40)51-35-48-45-27-15-16-28-46(45)56(44-30-29-38-19-13-14-26-42(38)33-44)55(41-24-11-4-12-25-41)50(48)36-52(51)53(47)39-20-7-2-8-21-39/h1-48H;1-40H;1-36H.

What are the key properties of 5-naphthalen-2-yl-8,13-bis(4-naphthalen-1-ylphenyl)-6,11-diphenylbenzo[a]tetracene;5-naphthalen-2-yl-6,8,11,13-tetraphenylbenzo[a]tetracene;5,8,13-trinaphthalen-2-yl-6,11-diphenylbenzo[a]tetracene?

5-naphthalen-2-yl-8,13-bis(4-naphthalen-1-ylphenyl)-6,11-diphenylbenzo[a]tetracene;5-naphthalen-2-yl-6,8,11,13-tetraphenylbenzo[a]tetracene;5,8,13-trinaphthalen-2-yl-6,11-diphenylbenzo[a]tetracene has a molecular weight of 2479.15 g/mol, XLogP of 55.31, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-naphthalen-2-yl-8,13-bis(4-naphthalen-1-ylphenyl)-6,11-diphenylbenzo[a]tetracene;5-naphthalen-2-yl-6,8,11,13-tetraphenylbenzo[a]tetracene;5,8,13-trinaphthalen-2-yl-6,11-diphenylbenzo[a]tetracene is sourced from PubChem (CID 158939837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).