9,9-diethyl-7-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-N,N-diphenylfluoren-2-amine

C67H49N — CID 142742012

About 9,9-diethyl-7-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-N,N-diphenylfluoren-2-amine

9,9-diethyl-7-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-N,N-diphenylfluoren-2-amine (PubChem CID 142742012) has the molecular formula C67H49N and a molecular weight of 868.14 g/mol. Its IUPAC name is 9,9-diethyl-7-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-N,N-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-diethyl-7-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-N,N-diphenylfluoren-2-amine
• PubChem CID: 142742012
• Molecular Formula: C67H49N
• Molecular Weight: 868.14 g/mol
• Exact Mass: 867.39
• IUPAC Name: 9,9-diethyl-7-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-N,N-diphenylfluoren-2-amine
• SMILES: CCC1(CC)c2cc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C67H49N/c1-3-67(4-2)61-42-47(37-39-51(61)52-40-38-50(43-62(52)67)68(48-23-7-5-8-24-48)49-25-9-6-10-26-49)64-55-29-15-19-33-59(55)66(60-34-20-16-30-56(60)64)65-57-31-17-13-27-53(57)63(54-28-14-18-32-58(54)65)46-36-35-44-21-11-12-22-45(44)41-46/h5-43H,3-4H2,1-2H3
• InChIKey: KIOJPXDJPSWJDF-UHFFFAOYSA-N
• XLogP: 19.01
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.14
LogP ≤ 5	19.01
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-diethyl-7-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-N,N-diphenylfluoren-2-amine?

The IUPAC name of 9,9-diethyl-7-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-N,N-diphenylfluoren-2-amine (CID 142742012) is 9,9-diethyl-7-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-N,N-diphenylfluoren-2-amine.

What is the SMILES notation for 9,9-diethyl-7-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-N,N-diphenylfluoren-2-amine?

The canonical SMILES for 9,9-diethyl-7-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-N,N-diphenylfluoren-2-amine is CCC1(CC)c2cc(-c3c4ccccc4c(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of 9,9-diethyl-7-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-N,N-diphenylfluoren-2-amine?

The InChIKey is KIOJPXDJPSWJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H49N/c1-3-67(4-2)61-42-47(37-39-51(61)52-40-38-50(43-62(52)67)68(48-23-7-5-8-24-48)49-25-9-6-10-26-49)64-55-29-15-19-33-59(55)66(60-34-20-16-30-56(60)64)65-57-31-17-13-27-53(57)63(54-28-14-18-32-58(54)65)46-36-35-44-21-11-12-22-45(44)41-46/h5-43H,3-4H2,1-2H3.

What are the key properties of 9,9-diethyl-7-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-N,N-diphenylfluoren-2-amine?

9,9-diethyl-7-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-N,N-diphenylfluoren-2-amine has a molecular weight of 868.14 g/mol, XLogP of 19.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-diethyl-7-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-N,N-diphenylfluoren-2-amine is sourced from PubChem (CID 142742012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).