N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine

C63H45NS — CID 70808719

About N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine

N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine (PubChem CID 70808719) has the molecular formula C63H45NS and a molecular weight of 848.13 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
• PubChem CID: 70808719
• Molecular Formula: C63H45NS
• Molecular Weight: 848.13 g/mol
• Exact Mass: 847.33
• IUPAC Name: N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
• SMILES: CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc21
• InChI: InChI=1S/C63H45NS/c1-63(2)59-40-47(42-15-6-3-7-16-42)29-35-55(59)56-36-34-53(41-60(56)63)64(52-32-27-46(28-33-52)54-22-14-23-58-57-21-12-13-24-61(57)65-62(54)58)51-30-25-45(26-31-51)50-38-48(43-17-8-4-9-18-43)37-49(39-50)44-19-10-5-11-20-44/h3-41H,1-2H3
• InChIKey: ZDVVXVGSNGWBCW-UHFFFAOYSA-N
• XLogP: 18.17
• TPSA: 3.24 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.13
LogP ≤ 5	18.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine?

The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine (CID 70808719) is N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine.

What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine?

The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc21.

What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine?

The InChIKey is ZDVVXVGSNGWBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45NS/c1-63(2)59-40-47(42-15-6-3-7-16-42)29-35-55(59)56-36-34-53(41-60(56)63)64(52-32-27-46(28-33-52)54-22-14-23-58-57-21-12-13-24-61(57)65-62(54)58)51-30-25-45(26-31-51)50-38-48(43-17-8-4-9-18-43)37-49(39-50)44-19-10-5-11-20-44/h3-41H,1-2H3.

What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine?

N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine has a molecular weight of 848.13 g/mol, XLogP of 18.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine is sourced from PubChem (CID 70808719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).