3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine

C73H54N2 — CID 177286747

About 3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine

3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine (PubChem CID 177286747) has the molecular formula C73H54N2 and a molecular weight of 959.25 g/mol. Its IUPAC name is 3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine.

Molecular Properties

• Compound Name: 3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
• PubChem CID: 177286747
• Molecular Formula: C73H54N2
• Molecular Weight: 959.25 g/mol
• Exact Mass: 958.43
• IUPAC Name: 3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccc(-c5c(-c6ccccc6)cccc5-c5ccccc5)cc4)cc(N(c4ccccc4)c4ccccc4)c3)c3ccc4ccccc4c3-c3ccccc3)cc21
• InChI: InChI=1S/C73H54N2/c1-73(2)68-38-21-20-35-66(68)67-45-44-60(50-69(67)73)75(70-46-43-54-27-18-19-34-65(54)72(70)55-28-12-5-13-29-55)62-48-57(47-61(49-62)74(58-30-14-6-15-31-58)59-32-16-7-17-33-59)51-39-41-56(42-40-51)71-63(52-23-8-3-9-24-52)36-22-37-64(71)53-25-10-4-11-26-53/h3-50H,1-2H3
• InChIKey: UKVGPLVPXPQQIL-UHFFFAOYSA-N
• XLogP: 20.42
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.25
LogP ≤ 5	20.42
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)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine?

The IUPAC name of 3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine (CID 177286747) is 3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine.

What is the SMILES notation for 3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine?

The canonical SMILES for 3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine is CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccc(-c5c(-c6ccccc6)cccc5-c5ccccc5)cc4)cc(N(c4ccccc4)c4ccccc4)c3)c3ccc4ccccc4c3-c3ccccc3)cc21.

What is the InChIKey of 3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine?

The InChIKey is UKVGPLVPXPQQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H54N2/c1-73(2)68-38-21-20-35-66(68)67-45-44-60(50-69(67)73)75(70-46-43-54-27-18-19-34-65(54)72(70)55-28-12-5-13-29-55)62-48-57(47-61(49-62)74(58-30-14-6-15-31-58)59-32-16-7-17-33-59)51-39-41-56(42-40-51)71-63(52-23-8-3-9-24-52)36-22-37-64(71)53-25-10-4-11-26-53/h3-50H,1-2H3.

What are the key properties of 3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine?

3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine has a molecular weight of 959.25 g/mol, XLogP of 20.42, 11 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)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 177286747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).