10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene

C77H54 — CID 156682573

About 10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene

10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene (PubChem CID 156682573) has the molecular formula C77H54 and a molecular weight of 979.28 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene.

Molecular Properties

• Compound Name: 10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene
• PubChem CID: 156682573
• Molecular Formula: C77H54
• Molecular Weight: 979.28 g/mol
• Exact Mass: 978.42
• IUPAC Name: 10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccc7c(-c7ccc8c(c7)Cc7ccccc7-8)c6c5)cc4)c4ccccc34)cc21
• InChI: InChI=1S/C77H54/c1-76(2)68-27-15-13-19-56(68)58-38-35-51(44-70(58)76)73-62-23-9-7-21-60(62)72(61-22-8-10-24-63(61)73)47-31-29-46(30-32-47)48-33-40-66-67(43-48)75(50-34-37-55-53(42-50)41-49-17-5-6-18-54(49)55)65-26-12-11-25-64(65)74(66)52-36-39-59-57-20-14-16-28-69(57)77(3,4)71(59)45-52/h5-40,42-45H,41H2,1-4H3
• InChIKey: GBSSQLPUWKSHEA-UHFFFAOYSA-N
• XLogP: 20.82
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	979.28
LogP ≤ 5	20.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene?

The IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene (CID 156682573) is 10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene.

What is the SMILES notation for 10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene?

The canonical SMILES for 10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)c7ccccc7c(-c7ccc8c(c7)Cc7ccccc7-8)c6c5)cc4)c4ccccc34)cc21.

What is the InChIKey of 10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene?

The InChIKey is GBSSQLPUWKSHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H54/c1-76(2)68-27-15-13-19-56(68)58-38-35-51(44-70(58)76)73-62-23-9-7-21-60(62)72(61-22-8-10-24-63(61)73)47-31-29-46(30-32-47)48-33-40-66-67(43-48)75(50-34-37-55-53(42-50)41-49-17-5-6-18-54(49)55)65-26-12-11-25-64(65)74(66)52-36-39-59-57-20-14-16-28-69(57)77(3,4)71(59)45-52/h5-40,42-45H,41H2,1-4H3.

What are the key properties of 10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene?

10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene has a molecular weight of 979.28 g/mol, XLogP of 20.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene is sourced from PubChem (CID 156682573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).