6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine

C55H39NO — CID 169296176

IUPAC6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3c(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cccc34)cc21
InChIInChI=1S/C55H39NO/c1-55(2)48-25-13-11-23-44(48)45-33-30-40(35-49(45)55)52-43-22-10-9-20-39(43)34-47-46-24-15-27-51(53(46)57-54(47)52)56(41-31-28-37(29-32-41)36-16-5-3-6-17-36)50-26-14-12-21-42(50)38-18-7-4-8-19-38/h3-35H,1-2H3
InChIKeyXHLNISSQUWGEIL-UHFFFAOYSA-N
MW729.92 g/mol
LogP15.52
Rot. Bonds6

About 6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine

6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine (PubChem CID 169296176) has the molecular formula C55H39NO and a molecular weight of 729.92 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine.

Molecular Properties

Compound Name6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
PubChem CID169296176
Molecular FormulaC55H39NO
Molecular Weight729.92 g/mol
Exact Mass729.30
IUPAC Name6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3c(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cccc34)cc21
InChIInChI=1S/C55H39NO/c1-55(2)48-25-13-11-23-44(48)45-33-30-40(35-49(45)55)52-43-22-10-9-20-39(43)34-47-46-24-15-27-51(53(46)57-54(47)52)56(41-31-28-37(29-32-41)36-16-5-3-6-17-36)50-26-14-12-21-42(50)38-18-7-4-8-19-38/h3-35H,1-2H3
InChIKeyXHLNISSQUWGEIL-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.92
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine with MolForge

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Related Compounds

6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295150
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-(4-triphenylen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295211
N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295596
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296235
N-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295713
N-(9,9-dimethylfluoren-2-yl)-N,6-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844440
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028594
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199
N,N-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295781
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296272
6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295994
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 166028581

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
The IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine (CID 169296176) is 6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine.
What is the SMILES notation for 6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
The canonical SMILES for 6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3c(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cccc34)cc21.
What is the InChIKey of 6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
The InChIKey is XHLNISSQUWGEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO/c1-55(2)48-25-13-11-23-44(48)45-33-30-40(35-49(45)55)52-43-22-10-9-20-39(43)34-47-46-24-15-27-51(53(46)57-54(47)52)56(41-31-28-37(29-32-41)36-16-5-3-6-17-36)50-26-14-12-21-42(50)38-18-7-4-8-19-38/h3-35H,1-2H3.
What are the key properties of 6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine?
6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine has a molecular weight of 729.92 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine is sourced from PubChem (CID 169296176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).