N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine

C61H47N — CID 142481404

About N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine

N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine (PubChem CID 142481404) has the molecular formula C61H47N and a molecular weight of 794.05 g/mol. Its IUPAC name is N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
• PubChem CID: 142481404
• Molecular Formula: C61H47N
• Molecular Weight: 794.05 g/mol
• Exact Mass: 793.37
• IUPAC Name: N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5C(C)(C)c5ccccc54)cc3)c3cccc(-c4ccccc4)c3)cc21
• InChI: InChI=1S/C61H47N/c1-59(2)51-23-10-8-21-47(51)49-36-34-46(39-57(49)59)62(45-20-16-19-42(37-45)40-17-6-5-7-18-40)44-32-29-41(30-33-44)43-31-35-50-48-22-9-11-24-52(48)61(58(50)38-43)55-27-14-12-25-53(55)60(3,4)54-26-13-15-28-56(54)61/h5-39H,1-4H3
• InChIKey: WMUXARUTYOWMKK-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-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine (CID 142481404) is N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5C(C)(C)c5ccccc54)cc3)c3cccc(-c4ccccc4)c3)cc21.

What is the InChIKey of N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?

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

What are the key properties of N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine?

N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-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-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 142481404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).