5,12-bis(2,4-diphenylphenyl)tetracene;7-tert-butyl-1-(6-naphthalen-2-ylnaphthalen-2-yl)pyrene;15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;17,24-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)perylene;5,6,11,12-tetraphenyltetracene

C252H166 — CID 158662057

About 5,12-bis(2,4-diphenylphenyl)tetracene;7-tert-butyl-1-(6-naphthalen-2-ylnaphthalen-2-yl)pyrene;15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;17,24-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)perylene;5,6,11,12-tetraphenyltetracene

5,12-bis(2,4-diphenylphenyl)tetracene;7-tert-butyl-1-(6-naphthalen-2-ylnaphthalen-2-yl)pyrene;15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;17,24-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)perylene;5,6,11,12-tetraphenyltetracene (PubChem CID 158662057) has the molecular formula C252H166 and a molecular weight of 3194.10 g/mol. Its IUPAC name is 5,12-bis(2,4-diphenylphenyl)tetracene;7-tert-butyl-1-(6-naphthalen-2-ylnaphthalen-2-yl)pyrene;15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;17,24-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)perylene;5,6,11,12-tetraphenyltetracene.

Molecular Properties

• Compound Name: 5,12-bis(2,4-diphenylphenyl)tetracene;7-tert-butyl-1-(6-naphthalen-2-ylnaphthalen-2-yl)pyrene;15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;17,24-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)perylene;5,6,11,12-tetraphenyltetracene
• PubChem CID: 158662057
• Molecular Formula: C252H166
• Molecular Weight: 3194.10 g/mol
• Exact Mass: 3191.30
• IUPAC Name: 5,12-bis(2,4-diphenylphenyl)tetracene;7-tert-butyl-1-(6-naphthalen-2-ylnaphthalen-2-yl)pyrene;15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;17,24-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)perylene;5,6,11,12-tetraphenyltetracene
• SMILES: CC(C)(C)c1cc2ccc3ccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c4ccc(c1)c2c34.c1ccc(-c2c3cc4ccccc4cc3c(-c3ccccc3)c3c4ccccc4c4ccccc4c23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc4c5ccccc5c5ccccc5c4cc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c4cc5ccccc5cc34)c(-c3ccccc3)c2)cc1.c1ccc2cc(-c3ccc4cc(-c5ccc6c7cccc8cccc(c9cccc5c96)c87)ccc4c3)ccc2c1
• InChI: InChI=1S/C54H36.C42H28.C40H24.C40H30.2C38H24/c1-5-17-37(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;1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30;1-2-7-27-22-28(15-14-25(27)6-1)29-16-17-31-24-32(19-18-30(31)23-29)33-20-21-38-36-11-4-9-26-8-3-10-35(39(26)36)37-13-5-12-34(33)40(37)38;1-40(2,3)35-23-33-15-9-26-16-18-36(37-19-17-34(24-35)38(33)39(26)37)32-14-13-30-21-29(11-12-31(30)22-32)28-10-8-25-6-4-5-7-27(25)20-28;1-3-13-25(14-4-1)37-31-21-11-12-22-32(31)38(26-15-5-2-6-16-26)36-24-34-30-20-10-8-18-28(30)27-17-7-9-19-29(27)33(34)23-35(36)37;1-3-13-25(14-4-1)35-33-23-27-17-7-8-18-28(27)24-34(33)36(26-15-5-2-6-16-26)38-32-22-12-10-20-30(32)29-19-9-11-21-31(29)37(35)38/h1-36H;1-28H;1-24H;4-24H,1-3H3;2*1-24H
• InChIKey: ICWLQZIARSBCPH-UHFFFAOYSA-N
• XLogP: 71.44
• TPSA: 0.00 Ų
• Rotatable Bonds: 18
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3194.10
LogP ≤ 5	71.44
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 5,12-bis(2,4-diphenylphenyl)tetracene;7-tert-butyl-1-(6-naphthalen-2-ylnaphthalen-2-yl)pyrene;15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;17,24-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)perylene;5,6,11,12-tetraphenyltetracene?

The IUPAC name of 5,12-bis(2,4-diphenylphenyl)tetracene;7-tert-butyl-1-(6-naphthalen-2-ylnaphthalen-2-yl)pyrene;15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;17,24-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)perylene;5,6,11,12-tetraphenyltetracene (CID 158662057) is 5,12-bis(2,4-diphenylphenyl)tetracene;7-tert-butyl-1-(6-naphthalen-2-ylnaphthalen-2-yl)pyrene;15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;17,24-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)perylene;5,6,11,12-tetraphenyltetracene.

What is the SMILES notation for 5,12-bis(2,4-diphenylphenyl)tetracene;7-tert-butyl-1-(6-naphthalen-2-ylnaphthalen-2-yl)pyrene;15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;17,24-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)perylene;5,6,11,12-tetraphenyltetracene?

The canonical SMILES for 5,12-bis(2,4-diphenylphenyl)tetracene;7-tert-butyl-1-(6-naphthalen-2-ylnaphthalen-2-yl)pyrene;15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;17,24-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)perylene;5,6,11,12-tetraphenyltetracene is CC(C)(C)c1cc2ccc3ccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c4ccc(c1)c2c34.c1ccc(-c2c3cc4ccccc4cc3c(-c3ccccc3)c3c4ccccc4c4ccccc4c23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc4c5ccccc5c5ccccc5c4cc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4-c4ccccc4)c4cc5ccccc5cc34)c(-c3ccccc3)c2)cc1.c1ccc2cc(-c3ccc4cc(-c5ccc6c7cccc8cccc(c9cccc5c96)c87)ccc4c3)ccc2c1.

What is the InChIKey of 5,12-bis(2,4-diphenylphenyl)tetracene;7-tert-butyl-1-(6-naphthalen-2-ylnaphthalen-2-yl)pyrene;15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;17,24-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)perylene;5,6,11,12-tetraphenyltetracene?

The InChIKey is ICWLQZIARSBCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36.C42H28.C40H24.C40H30.2C38H24/c1-5-17-37(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;1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30;1-2-7-27-22-28(15-14-25(27)6-1)29-16-17-31-24-32(19-18-30(31)23-29)33-20-21-38-36-11-4-9-26-8-3-10-35(39(26)36)37-13-5-12-34(33)40(37)38;1-40(2,3)35-23-33-15-9-26-16-18-36(37-19-17-34(24-35)38(33)39(26)37)32-14-13-30-21-29(11-12-31(30)22-32)28-10-8-25-6-4-5-7-27(25)20-28;1-3-13-25(14-4-1)37-31-21-11-12-22-32(31)38(26-15-5-2-6-16-26)36-24-34-30-20-10-8-18-28(30)27-17-7-9-19-29(27)33(34)23-35(36)37;1-3-13-25(14-4-1)35-33-23-27-17-7-8-18-28(27)24-34(33)36(26-15-5-2-6-16-26)38-32-22-12-10-20-30(32)29-19-9-11-21-31(29)37(35)38/h1-36H;1-28H;1-24H;4-24H,1-3H3;2*1-24H.

What are the key properties of 5,12-bis(2,4-diphenylphenyl)tetracene;7-tert-butyl-1-(6-naphthalen-2-ylnaphthalen-2-yl)pyrene;15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;17,24-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)perylene;5,6,11,12-tetraphenyltetracene?

5,12-bis(2,4-diphenylphenyl)tetracene;7-tert-butyl-1-(6-naphthalen-2-ylnaphthalen-2-yl)pyrene;15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;17,24-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)perylene;5,6,11,12-tetraphenyltetracene has a molecular weight of 3194.10 g/mol, XLogP of 71.44, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5,12-bis(2,4-diphenylphenyl)tetracene;7-tert-butyl-1-(6-naphthalen-2-ylnaphthalen-2-yl)pyrene;15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;17,24-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)perylene;5,6,11,12-tetraphenyltetracene is sourced from PubChem (CID 158662057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).