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

C55H39NO — CID 169296337

IUPACN-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4oc5c(-c6ccccc6)c6ccccc6cc5c4c3)cc21
InChIInChI=1S/C55H39NO/c1-55(2)50-20-12-11-19-46(50)47-31-29-44(35-51(47)55)56(42-27-25-39(26-28-42)38-23-21-37(22-24-38)36-13-5-3-6-14-36)43-30-32-52-48(34-43)49-33-41-17-9-10-18-45(41)53(54(49)57-52)40-15-7-4-8-16-40/h3-35H,1-2H3
InChIKeyVFXCLTJCFYJXII-UHFFFAOYSA-N
MW729.92 g/mol
LogP15.52
Rot. Bonds6

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

N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine (PubChem CID 169296337) has the molecular formula C55H39NO and a molecular weight of 729.92 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine
PubChem CID169296337
Molecular FormulaC55H39NO
Molecular Weight729.92 g/mol
Exact Mass729.30
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4oc5c(-c6ccccc6)c6ccccc6cc5c4c3)cc21
InChIInChI=1S/C55H39NO/c1-55(2)50-20-12-11-19-46(50)47-31-29-44(35-51(47)55)56(42-27-25-39(26-28-42)38-23-21-37(22-24-38)36-13-5-3-6-14-36)43-30-32-52-48(34-43)49-33-41-17-9-10-18-45(41)53(54(49)57-52)40-15-7-4-8-16-40/h3-35H,1-2H3
InChIKeyVFXCLTJCFYJXII-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

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Related Compounds

6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 169295304
6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295994
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296266
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296272
N,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295634
9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine
CID 164799796
N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295606
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295312
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-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295604
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296235
N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295352

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine (CID 169296337) is N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4oc5c(-c6ccccc6)c6ccccc6cc5c4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine?
The InChIKey is VFXCLTJCFYJXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO/c1-55(2)50-20-12-11-19-46(50)47-31-29-44(35-51(47)55)56(42-27-25-39(26-28-42)38-23-21-37(22-24-38)36-13-5-3-6-14-36)43-30-32-52-48(34-43)49-33-41-17-9-10-18-45(41)53(54(49)57-52)40-15-7-4-8-16-40/h3-35H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine?
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-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 N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine is sourced from PubChem (CID 169296337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).