9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-2-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine

C89H93N — CID 168837036

About 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-2-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine

9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-2-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine (PubChem CID 168837036) has the molecular formula C89H93N and a molecular weight of 1176.73 g/mol. Its IUPAC name is 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-2-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-2-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine
• PubChem CID: 168837036
• Molecular Formula: C89H93N
• Molecular Weight: 1176.73 g/mol
• Exact Mass: 1175.73
• IUPAC Name: 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-2-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine
• SMILES: CCCCC1(CCCC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5cc(N(c6ccc7c(c6)C(CCCC)(CCCC)c6cc(C)ccc6-7)c6ccc7c(c6)C(CCCC)(CCCC)c6cc(C)ccc6-7)ccc5c4)c4ccccc34)cc21
• InChI: InChI=1S/C89H93N/c1-9-15-47-87(48-16-10-2)79-32-26-25-27-69(79)72-44-38-65(57-82(72)87)86-77-30-23-21-28-75(77)85(76-29-22-24-31-78(76)86)64-36-35-63-56-66(39-37-62(63)55-64)90(67-40-45-73-70-42-33-60(7)53-80(70)88(49-17-11-3,50-18-12-4)83(73)58-67)68-41-46-74-71-43-34-61(8)54-81(71)89(51-19-13-5,52-20-14-6)84(74)59-68/h21-46,53-59H,9-20,47-52H2,1-8H3
• InChIKey: LJCRRWGFRSJWFS-UHFFFAOYSA-N
• XLogP: 26.51
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 23
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1176.73
LogP ≤ 5	26.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-2-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine?

The IUPAC name of 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-2-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine (CID 168837036) is 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-2-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine.

What is the SMILES notation for 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-2-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine?

The canonical SMILES for 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-2-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine is CCCCC1(CCCC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5cc(N(c6ccc7c(c6)C(CCCC)(CCCC)c6cc(C)ccc6-7)c6ccc7c(c6)C(CCCC)(CCCC)c6cc(C)ccc6-7)ccc5c4)c4ccccc34)cc21.

What is the InChIKey of 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-2-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine?

The InChIKey is LJCRRWGFRSJWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H93N/c1-9-15-47-87(48-16-10-2)79-32-26-25-27-69(79)72-44-38-65(57-82(72)87)86-77-30-23-21-28-75(77)85(76-29-22-24-31-78(76)86)64-36-35-63-56-66(39-37-62(63)55-64)90(67-40-45-73-70-42-33-60(7)53-80(70)88(49-17-11-3,50-18-12-4)83(73)58-67)68-41-46-74-71-43-34-61(8)54-81(71)89(51-19-13-5,52-20-14-6)84(74)59-68/h21-46,53-59H,9-20,47-52H2,1-8H3.

What are the key properties of 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-2-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine?

9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-2-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine has a molecular weight of 1176.73 g/mol, XLogP of 26.51, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dibutyl-N-[6-[10-(9,9-dibutylfluoren-2-yl)anthracen-9-yl]naphthalen-2-yl]-N-(9,9-dibutyl-7-methylfluoren-2-yl)-7-methylfluoren-2-amine is sourced from PubChem (CID 168837036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).