7-tert-butyl-1-[4-[4-[4-[7-[7-[4-(7-tert-butyl-3-methyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-3-methylpyrene

C96H80 — CID 123711034

About 7-tert-butyl-1-[4-[4-[4-[7-[7-[4-(7-tert-butyl-3-methyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-3-methylpyrene

7-tert-butyl-1-[4-[4-[4-[7-[7-[4-(7-tert-butyl-3-methyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-3-methylpyrene (PubChem CID 123711034) has the molecular formula C96H80 and a molecular weight of 1233.70 g/mol. Its IUPAC name is 7-tert-butyl-1-[4-[4-[4-[7-[7-[4-(7-tert-butyl-3-methyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-3-methylpyrene.

Molecular Properties

• Compound Name: 7-tert-butyl-1-[4-[4-[4-[7-[7-[4-(7-tert-butyl-3-methyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-3-methylpyrene
• PubChem CID: 123711034
• Molecular Formula: C96H80
• Molecular Weight: 1233.70 g/mol
• Exact Mass: 1232.63
• IUPAC Name: 7-tert-butyl-1-[4-[4-[4-[7-[7-[4-(7-tert-butyl-3-methyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-3-methylpyrene
• SMILES: Cc1cc(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc(-c8ccc(-c9ccc(-c%10cc(C)c%11ccc%12cc(C(C)(C)C)cc%13ccc%10c%11c%12%13)cc9)cc8)cc7)ccc5-6)ccc3-4)cc2)c2ccc3c4c2c1CC=C4CC(C(C)(C)C)=C3
• InChI: InChI=1S/C96H80/c1-55-45-83(81-43-35-71-49-73(93(3,4)5)47-69-33-37-75(55)91(81)89(69)71)63-25-21-60(22-26-63)58-15-13-57(14-16-58)59-17-19-61(20-18-59)65-29-39-77-79-41-31-67(53-87(79)95(9,10)85(77)51-65)68-32-42-80-78-40-30-66(52-86(78)96(11,12)88(80)54-68)62-23-27-64(28-24-62)84-46-56(2)76-38-34-70-48-74(94(6,7)8)50-72-36-44-82(84)92(76)90(70)72/h13-37,39-47,49-54H,38,48H2,1-12H3
• InChIKey: OOOAOECSFOOITJ-UHFFFAOYSA-N
• XLogP: 26.71
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1233.70
LogP ≤ 5	26.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1-[4-[4-[4-[7-[7-[4-(7-tert-butyl-3-methyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-3-methylpyrene?

The IUPAC name of 7-tert-butyl-1-[4-[4-[4-[7-[7-[4-(7-tert-butyl-3-methyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-3-methylpyrene (CID 123711034) is 7-tert-butyl-1-[4-[4-[4-[7-[7-[4-(7-tert-butyl-3-methyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-3-methylpyrene.

What is the SMILES notation for 7-tert-butyl-1-[4-[4-[4-[7-[7-[4-(7-tert-butyl-3-methyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-3-methylpyrene?

The canonical SMILES for 7-tert-butyl-1-[4-[4-[4-[7-[7-[4-(7-tert-butyl-3-methyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-3-methylpyrene is Cc1cc(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc(-c8ccc(-c9ccc(-c%10cc(C)c%11ccc%12cc(C(C)(C)C)cc%13ccc%10c%11c%12%13)cc9)cc8)cc7)ccc5-6)ccc3-4)cc2)c2ccc3c4c2c1CC=C4CC(C(C)(C)C)=C3.

What is the InChIKey of 7-tert-butyl-1-[4-[4-[4-[7-[7-[4-(7-tert-butyl-3-methyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-3-methylpyrene?

The InChIKey is OOOAOECSFOOITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H80/c1-55-45-83(81-43-35-71-49-73(93(3,4)5)47-69-33-37-75(55)91(81)89(69)71)63-25-21-60(22-26-63)58-15-13-57(14-16-58)59-17-19-61(20-18-59)65-29-39-77-79-41-31-67(53-87(79)95(9,10)85(77)51-65)68-32-42-80-78-40-30-66(52-86(78)96(11,12)88(80)54-68)62-23-27-64(28-24-62)84-46-56(2)76-38-34-70-48-74(94(6,7)8)50-72-36-44-82(84)92(76)90(70)72/h13-37,39-47,49-54H,38,48H2,1-12H3.

What are the key properties of 7-tert-butyl-1-[4-[4-[4-[7-[7-[4-(7-tert-butyl-3-methyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-3-methylpyrene?

7-tert-butyl-1-[4-[4-[4-[7-[7-[4-(7-tert-butyl-3-methyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-3-methylpyrene has a molecular weight of 1233.70 g/mol, XLogP of 26.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 7-tert-butyl-1-[4-[4-[4-[7-[7-[4-(7-tert-butyl-3-methyl-4,6-dihydropyren-1-yl)phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]-3-methylpyrene is sourced from PubChem (CID 123711034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).