N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine

C59H40N2 — CID 165155346

About N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine

N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine (PubChem CID 165155346) has the molecular formula C59H40N2 and a molecular weight of 776.98 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine
• PubChem CID: 165155346
• Molecular Formula: C59H40N2
• Molecular Weight: 776.98 g/mol
• Exact Mass: 776.32
• IUPAC Name: N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine
• SMILES: c1ccc(-c2cc3c(cc2N(c2ccc4c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)c2ccc4ccccc4c2)c2ccccc2n3-c2ccccc2)cc1
• InChI: InChI=1S/C59H40N2/c1-5-20-42(21-6-1)52-39-58-53(51-30-16-18-32-56(51)61(58)46-27-11-4-12-28-46)40-57(52)60(47-34-33-41-19-13-14-22-43(41)37-47)48-35-36-50-49-29-15-17-31-54(49)59(55(50)38-48,44-23-7-2-8-24-44)45-25-9-3-10-26-45/h1-40H
• InChIKey: QCQWLQCMZSHIJI-UHFFFAOYSA-N
• XLogP: 15.44
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.98
LogP ≤ 5	15.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine?

The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine (CID 165155346) is N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine.

What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine?

The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine is c1ccc(-c2cc3c(cc2N(c2ccc4c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)c2ccc4ccccc4c2)c2ccccc2n3-c2ccccc2)cc1.

What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine?

The InChIKey is QCQWLQCMZSHIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2/c1-5-20-42(21-6-1)52-39-58-53(51-30-16-18-32-56(51)61(58)46-27-11-4-12-28-46)40-57(52)60(47-34-33-41-19-13-14-22-43(41)37-47)48-35-36-50-49-29-15-17-31-54(49)59(55(50)38-48,44-23-7-2-8-24-44)45-25-9-3-10-26-45/h1-40H.

What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine?

N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine has a molecular weight of 776.98 g/mol, XLogP of 15.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 165155346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).