15,26-bis[4-(2-phenylphenyl)phenyl]hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-2-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene

C154H96 — CID 162189667

About 15,26-bis[4-(2-phenylphenyl)phenyl]hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-2-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene

15,26-bis[4-(2-phenylphenyl)phenyl]hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-2-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene (PubChem CID 162189667) has the molecular formula C154H96 and a molecular weight of 1946.46 g/mol. Its IUPAC name is 15,26-bis[4-(2-phenylphenyl)phenyl]hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-2-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene.

Molecular Properties

• Compound Name: 15,26-bis[4-(2-phenylphenyl)phenyl]hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-2-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
• PubChem CID: 162189667
• Molecular Formula: C154H96
• Molecular Weight: 1946.46 g/mol
• Exact Mass: 1944.75
• IUPAC Name: 15,26-bis[4-(2-phenylphenyl)phenyl]hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-2-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
• SMILES: c1ccc(-c2ccccc2-c2ccc(-c3c4cc5ccccc5cc4c(-c4ccc(-c5ccccc5-c5ccccc5)cc4)c4cc5c(ccc6ccccc65)cc34)cc2)cc1.c1ccc2cc(-c3c4cc5ccccc5cc4c(-c4ccc5ccccc5c4)c4cc5c(ccc6ccccc65)cc34)ccc2c1.c1ccc2cc3c(-c4cccc5ccccc45)c4cc5c(ccc6ccccc65)cc4c(-c4cccc5ccccc45)c3cc2c1
• InChI: InChI=1S/C62H40.2C46H28/c1-3-15-41(16-4-1)51-22-11-13-24-53(51)44-27-32-46(33-28-44)61-57-37-48-20-7-8-21-49(48)38-58(57)62(60-40-56-50(39-59(60)61)36-31-43-19-9-10-26-55(43)56)47-34-29-45(30-35-47)54-25-14-12-23-52(54)42-17-5-2-6-18-42;1-3-12-32-23-37(21-17-29(32)9-1)45-41-25-34-14-5-6-15-35(34)26-42(41)46(38-22-18-30-10-2-4-13-33(30)24-38)44-28-40-36(27-43(44)45)20-19-31-11-7-8-16-39(31)40;1-2-15-33-26-42-41(25-32(33)14-1)45(38-21-9-16-29-11-3-6-18-35(29)38)43-27-34-24-23-31-13-5-8-20-37(31)40(34)28-44(43)46(42)39-22-10-17-30-12-4-7-19-36(30)39/h1-40H;2*1-28H
• InChIKey: ZQDAFHQSNOKCRB-UHFFFAOYSA-N
• XLogP: 43.64
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1946.46
LogP ≤ 5	43.64
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 15,26-bis[4-(2-phenylphenyl)phenyl]hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-2-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene?

The IUPAC name of 15,26-bis[4-(2-phenylphenyl)phenyl]hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-2-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene (CID 162189667) is 15,26-bis[4-(2-phenylphenyl)phenyl]hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-2-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene.

What is the SMILES notation for 15,26-bis[4-(2-phenylphenyl)phenyl]hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-2-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene?

The canonical SMILES for 15,26-bis[4-(2-phenylphenyl)phenyl]hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-2-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene is c1ccc(-c2ccccc2-c2ccc(-c3c4cc5ccccc5cc4c(-c4ccc(-c5ccccc5-c5ccccc5)cc4)c4cc5c(ccc6ccccc65)cc34)cc2)cc1.c1ccc2cc(-c3c4cc5ccccc5cc4c(-c4ccc5ccccc5c4)c4cc5c(ccc6ccccc65)cc34)ccc2c1.c1ccc2cc3c(-c4cccc5ccccc45)c4cc5c(ccc6ccccc65)cc4c(-c4cccc5ccccc45)c3cc2c1.

What is the InChIKey of 15,26-bis[4-(2-phenylphenyl)phenyl]hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-2-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene?

The InChIKey is ZQDAFHQSNOKCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40.2C46H28/c1-3-15-41(16-4-1)51-22-11-13-24-53(51)44-27-32-46(33-28-44)61-57-37-48-20-7-8-21-49(48)38-58(57)62(60-40-56-50(39-59(60)61)36-31-43-19-9-10-26-55(43)56)47-34-29-45(30-35-47)54-25-14-12-23-52(54)42-17-5-2-6-18-42;1-3-12-32-23-37(21-17-29(32)9-1)45-41-25-34-14-5-6-15-35(34)26-42(41)46(38-22-18-30-10-2-4-13-33(30)24-38)44-28-40-36(27-43(44)45)20-19-31-11-7-8-16-39(31)40;1-2-15-33-26-42-41(25-32(33)14-1)45(38-21-9-16-29-11-3-6-18-35(29)38)43-27-34-24-23-31-13-5-8-20-37(31)40(34)28-44(43)46(42)39-22-10-17-30-12-4-7-19-36(30)39/h1-40H;2*1-28H.

What are the key properties of 15,26-bis[4-(2-phenylphenyl)phenyl]hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-2-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene?

15,26-bis[4-(2-phenylphenyl)phenyl]hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-2-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene has a molecular weight of 1946.46 g/mol, XLogP of 43.64, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 15,26-bis[4-(2-phenylphenyl)phenyl]hexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-1-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene;15,26-dinaphthalen-2-ylhexacyclo[12.12.0.03,12.04,9.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene is sourced from PubChem (CID 162189667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).