3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(8-phenylnaphthalen-2-yl)benzene-1,3-diamine

C55H42N2 — CID 177286700

About 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(8-phenylnaphthalen-2-yl)benzene-1,3-diamine

3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(8-phenylnaphthalen-2-yl)benzene-1,3-diamine (PubChem CID 177286700) has the molecular formula C55H42N2 and a molecular weight of 730.96 g/mol. Its IUPAC name is 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(8-phenylnaphthalen-2-yl)benzene-1,3-diamine.

Molecular Properties

• Compound Name: 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(8-phenylnaphthalen-2-yl)benzene-1,3-diamine
• PubChem CID: 177286700
• Molecular Formula: C55H42N2
• Molecular Weight: 730.96 g/mol
• Exact Mass: 730.33
• IUPAC Name: 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(8-phenylnaphthalen-2-yl)benzene-1,3-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc5cccc(-c6ccccc6)c5c4)cc(N(c4ccccc4)c4ccccc4)c3)cc21
• InChI: InChI=1S/C55H42N2/c1-55(2)53-29-16-15-27-50(53)51-33-32-46(38-54(51)55)57(45-25-13-6-14-26-45)48-35-42(34-47(37-48)56(43-21-9-4-10-22-43)44-23-11-5-12-24-44)41-31-30-40-20-17-28-49(52(40)36-41)39-18-7-3-8-19-39/h3-38H,1-2H3
• InChIKey: OFJSKRDUQJBOIY-UHFFFAOYSA-N
• XLogP: 15.42
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.96
LogP ≤ 5	15.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(8-phenylnaphthalen-2-yl)benzene-1,3-diamine?

The IUPAC name of 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(8-phenylnaphthalen-2-yl)benzene-1,3-diamine (CID 177286700) is 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(8-phenylnaphthalen-2-yl)benzene-1,3-diamine.

What is the SMILES notation for 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(8-phenylnaphthalen-2-yl)benzene-1,3-diamine?

The canonical SMILES for 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(8-phenylnaphthalen-2-yl)benzene-1,3-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccc5cccc(-c6ccccc6)c5c4)cc(N(c4ccccc4)c4ccccc4)c3)cc21.

What is the InChIKey of 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(8-phenylnaphthalen-2-yl)benzene-1,3-diamine?

The InChIKey is OFJSKRDUQJBOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N2/c1-55(2)53-29-16-15-27-50(53)51-33-32-46(38-54(51)55)57(45-25-13-6-14-26-45)48-35-42(34-47(37-48)56(43-21-9-4-10-22-43)44-23-11-5-12-24-44)41-31-30-40-20-17-28-49(52(40)36-41)39-18-7-3-8-19-39/h3-38H,1-2H3.

What are the key properties of 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(8-phenylnaphthalen-2-yl)benzene-1,3-diamine?

3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(8-phenylnaphthalen-2-yl)benzene-1,3-diamine has a molecular weight of 730.96 g/mol, XLogP of 15.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(8-phenylnaphthalen-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 177286700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).