7-tert-butyl-1-[4-[7-[7-[4-[4-(7-tert-butyl-8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene

C88H72 — CID 123723940

About 7-tert-butyl-1-[4-[7-[7-[4-[4-(7-tert-butyl-8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene

7-tert-butyl-1-[4-[7-[7-[4-[4-(7-tert-butyl-8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene (PubChem CID 123723940) has the molecular formula C88H72 and a molecular weight of 1129.54 g/mol. Its IUPAC name is 7-tert-butyl-1-[4-[7-[7-[4-[4-(7-tert-butyl-8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene.

Molecular Properties

• Compound Name: 7-tert-butyl-1-[4-[7-[7-[4-[4-(7-tert-butyl-8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene
• PubChem CID: 123723940
• Molecular Formula: C88H72
• Molecular Weight: 1129.54 g/mol
• Exact Mass: 1128.56
• IUPAC Name: 7-tert-butyl-1-[4-[7-[7-[4-[4-(7-tert-butyl-8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene
• SMILES: CC(C)(C)C1=Cc2ccc3ccc(-c4ccc(-c5ccc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)C(C)(C)c8cc(-c%10ccc(-c%11ccc%12ccc%13cc(C(C)(C)C)cc%14ccc%11c%12c%13%14)cc%10)ccc8-9)ccc6-7)cc5)cc4)c4c3c2C(=CC4)C1
• InChI: InChI=1S/C88H72/c1-85(2,3)67-43-63-25-23-57-27-35-69(75-41-33-65(45-67)81(63)83(57)75)55-19-15-52(16-20-55)51-11-13-53(14-12-51)59-29-37-71-73-39-31-61(49-79(73)87(7,8)77(71)47-59)62-32-40-74-72-38-30-60(48-78(72)88(9,10)80(74)50-62)54-17-21-56(22-18-54)70-36-28-58-24-26-64-44-68(86(4,5)6)46-66-34-42-76(70)84(58)82(64)66/h11-40,42-44,46-50H,41,45H2,1-10H3
• InChIKey: AMJKTEPXUPFURI-UHFFFAOYSA-N
• XLogP: 24.42
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1129.54
LogP ≤ 5	24.42
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-[7-[7-[4-[4-(7-tert-butyl-8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene?

The IUPAC name of 7-tert-butyl-1-[4-[7-[7-[4-[4-(7-tert-butyl-8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene (CID 123723940) is 7-tert-butyl-1-[4-[7-[7-[4-[4-(7-tert-butyl-8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene.

What is the SMILES notation for 7-tert-butyl-1-[4-[7-[7-[4-[4-(7-tert-butyl-8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene?

The canonical SMILES for 7-tert-butyl-1-[4-[7-[7-[4-[4-(7-tert-butyl-8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene is CC(C)(C)C1=Cc2ccc3ccc(-c4ccc(-c5ccc(-c6ccc7c(c6)C(C)(C)c6cc(-c8ccc9c(c8)C(C)(C)c8cc(-c%10ccc(-c%11ccc%12ccc%13cc(C(C)(C)C)cc%14ccc%11c%12c%13%14)cc%10)ccc8-9)ccc6-7)cc5)cc4)c4c3c2C(=CC4)C1.

What is the InChIKey of 7-tert-butyl-1-[4-[7-[7-[4-[4-(7-tert-butyl-8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene?

The InChIKey is AMJKTEPXUPFURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H72/c1-85(2,3)67-43-63-25-23-57-27-35-69(75-41-33-65(45-67)81(63)83(57)75)55-19-15-52(16-20-55)51-11-13-53(14-12-51)59-29-37-71-73-39-31-61(49-79(73)87(7,8)77(71)47-59)62-32-40-74-72-38-30-60(48-78(72)88(9,10)80(74)50-62)54-17-21-56(22-18-54)70-36-28-58-24-26-64-44-68(86(4,5)6)46-66-34-42-76(70)84(58)82(64)66/h11-40,42-44,46-50H,41,45H2,1-10H3.

What are the key properties of 7-tert-butyl-1-[4-[7-[7-[4-[4-(7-tert-butyl-8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene?

7-tert-butyl-1-[4-[7-[7-[4-[4-(7-tert-butyl-8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene has a molecular weight of 1129.54 g/mol, XLogP of 24.42, 6 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-[7-[7-[4-[4-(7-tert-butyl-8,10-dihydropyren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]pyrene is sourced from PubChem (CID 123723940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).