N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

C61H47N — CID 146247503

About N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 146247503) has the molecular formula C61H47N and a molecular weight of 794.05 g/mol. Its IUPAC name is N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
• PubChem CID: 146247503
• Molecular Formula: C61H47N
• Molecular Weight: 794.05 g/mol
• Exact Mass: 793.37
• IUPAC Name: N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6C(C)(C)c6ccccc65)c4)c3)cc21
• InChI: InChI=1S/C61H47N/c1-59(2)51-26-10-8-24-47(51)49-35-33-46(39-57(49)59)62(44-21-6-5-7-22-44)45-23-17-20-42(37-45)40-18-16-19-41(36-40)43-32-34-50-48-25-9-11-27-52(48)61(58(50)38-43)55-30-14-12-28-53(55)60(3,4)54-29-13-15-31-56(54)61/h5-39H,1-4H3
• InChIKey: LTYHABYDXODJQK-UHFFFAOYSA-N
• XLogP: 15.80
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.05
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The IUPAC name of N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 146247503) is N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

What is the SMILES notation for N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The canonical SMILES for N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6C(C)(C)c6ccccc65)c4)c3)cc21.

What is the InChIKey of N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

The InChIKey is LTYHABYDXODJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47N/c1-59(2)51-26-10-8-24-47(51)49-35-33-46(39-57(49)59)62(44-21-6-5-7-22-44)45-23-17-20-42(37-45)40-18-16-19-41(36-40)43-32-34-50-48-25-9-11-27-52(48)61(58(50)38-43)55-30-14-12-28-53(55)60(3,4)54-29-13-15-31-56(54)61/h5-39H,1-4H3.

What are the key properties of N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?

N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 794.05 g/mol, XLogP of 15.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 146247503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).