About 9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene (PubChem CID 159677648) has the molecular formula C156H96
and a molecular weight of 1970.48 g/mol. Its IUPAC name is 9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene.
Molecular Properties
| Compound Name | 9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene |
|---|
| PubChem CID | 159677648 |
|---|
| Molecular Formula | C156H96 |
|---|
| Molecular Weight | 1970.48 g/mol |
|---|
| Exact Mass | 1968.75 |
|---|
| IUPAC Name | 9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene |
|---|
| SMILES | c1cc2ccc3ccc(-c4ccc(-c5cc(-c6ccc(-c7ccc8ccc9cccc%10ccc7c8c9%10)cc6)cc(-c6ccc(-c7ccc8ccc9cccc%10ccc7c8c9%10)cc6)c5)cc4)c4ccc(c1)c2c34.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cc(-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5)cc(-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5)c4)cc3)c3ccccc23)cc1 |
|---|
| InChI | InChI=1S/C84H54.C72H42/c1-4-22-58(23-5-1)79-67-28-10-16-34-73(67)82(74-35-17-11-29-68(74)79)61-46-40-55(41-47-61)64-52-65(56-42-48-62(49-43-56)83-75-36-18-12-30-69(75)80(59-24-6-2-7-25-59)70-31-13-19-37-76(70)83)54-66(53-64)57-44-50-63(51-45-57)84-77-38-20-14-32-71(77)81(60-26-8-3-9-27-60)72-33-15-21-39-78(72)84;1-4-49-22-25-55-28-34-61(64-37-31-52(7-1)67(49)70(55)64)46-16-10-43(11-17-46)58-40-59(44-12-18-47(19-13-44)62-35-29-56-26-23-50-5-2-8-53-32-38-65(62)71(56)68(50)53)42-60(41-58)45-14-20-48(21-15-45)63-36-30-57-27-24-51-6-3-9-54-33-39-66(63)72(57)69(51)54/h1-54H;1-42H |
|---|
| InChIKey | MUUSKBPXWJTHSK-UHFFFAOYSA-N |
|---|
| XLogP | 43.99 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | 15 |
|---|
| Heavy Atoms | 156 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1970.48 |
| LogP ≤ 5 | 43.99 |
| 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'} |
|---|
Analyze 9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene?
The IUPAC name of 9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene (CID 159677648) is 9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene.
What is the SMILES notation for 9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene?
The canonical SMILES for 9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene is c1cc2ccc3ccc(-c4ccc(-c5cc(-c6ccc(-c7ccc8ccc9cccc%10ccc7c8c9%10)cc6)cc(-c6ccc(-c7ccc8ccc9cccc%10ccc7c8c9%10)cc6)c5)cc4)c4ccc(c1)c2c34.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cc(-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5)cc(-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cc5)c4)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene?
The InChIKey is MUUSKBPXWJTHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54.C72H42/c1-4-22-58(23-5-1)79-67-28-10-16-34-73(67)82(74-35-17-11-29-68(74)79)61-46-40-55(41-47-61)64-52-65(56-42-48-62(49-43-56)83-75-36-18-12-30-69(75)80(59-24-6-2-7-25-59)70-31-13-19-37-76(70)83)54-66(53-64)57-44-50-63(51-45-57)84-77-38-20-14-32-71(77)81(60-26-8-3-9-27-60)72-33-15-21-39-78(72)84;1-4-49-22-25-55-28-34-61(64-37-31-52(7-1)67(49)70(55)64)46-16-10-43(11-17-46)58-40-59(44-12-18-47(19-13-44)62-35-29-56-26-23-50-5-2-8-53-32-38-65(62)71(56)68(50)53)42-60(41-58)45-14-20-48(21-15-45)63-36-30-57-27-24-51-6-3-9-54-33-39-66(63)72(57)69(51)54/h1-54H;1-42H.
What are the key properties of 9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene?
9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene has a molecular weight of 1970.48 g/mol, XLogP of 43.99, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene is sourced from PubChem (CID 159677648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).