N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine

C58H41N — CID 118298487

IUPACN-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccc(-c6ccccc6)cc53)c3ccccc3-4)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C58H41N/c1-57(2)50-25-13-9-22-44(50)47-33-30-41(36-53(47)57)59(56-28-16-12-21-43(56)39-19-7-4-8-20-39)42-31-34-49-46-24-11-15-27-52(46)58(55(49)37-42)51-26-14-10-23-45(51)48-32-29-40(35-54(48)58)38-17-5-3-6-18-38/h3-37H,1-2H3
InChIKeyLZFLJGDUWIAEMH-UHFFFAOYSA-N
MW751.97 g/mol
LogP15.14
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine

N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 118298487) has the molecular formula C58H41N and a molecular weight of 751.97 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID118298487
Molecular FormulaC58H41N
Molecular Weight751.97 g/mol
Exact Mass751.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccc(-c6ccccc6)cc53)c3ccccc3-4)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C58H41N/c1-57(2)50-25-13-9-22-44(50)47-33-30-41(36-53(47)57)59(56-28-16-12-21-43(56)39-19-7-4-8-20-39)42-31-34-49-46-24-11-15-27-52(46)58(55(49)37-42)51-26-14-10-23-45(51)48-32-29-40(35-54(48)58)38-17-5-3-6-18-38/h3-37H,1-2H3
InChIKeyLZFLJGDUWIAEMH-UHFFFAOYSA-N
XLogP15.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.97
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine (CID 118298487) is N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccc(-c6ccccc6)cc53)c3ccccc3-4)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is LZFLJGDUWIAEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N/c1-57(2)50-25-13-9-22-44(50)47-33-30-41(36-53(47)57)59(56-28-16-12-21-43(56)39-19-7-4-8-20-39)42-31-34-49-46-24-11-15-27-52(46)58(55(49)37-42)51-26-14-10-23-45(51)48-32-29-40(35-54(48)58)38-17-5-3-6-18-38/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine?
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 751.97 g/mol, XLogP of 15.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 118298487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).