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

C55H39NO — CID 169295304

IUPAC6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5cc5c4oc4ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc45)cc3)cc21
InChIInChI=1S/C55H39NO/c1-55(2)50-20-12-11-19-46(50)47-31-27-40(34-51(47)55)38-21-23-39(24-22-38)53-45-18-10-9-15-41(45)33-49-48-35-44(30-32-52(48)57-54(49)53)56(42-16-7-4-8-17-42)43-28-25-37(26-29-43)36-13-5-3-6-14-36/h3-35H,1-2H3
InChIKeyFHKZSADRWYYFSC-UHFFFAOYSA-N
MW729.92 g/mol
LogP15.52
Rot. Bonds6

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

6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine (PubChem CID 169295304) has the molecular formula C55H39NO and a molecular weight of 729.92 g/mol. Its IUPAC name is 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine.

Molecular Properties

Compound Name6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
PubChem CID169295304
Molecular FormulaC55H39NO
Molecular Weight729.92 g/mol
Exact Mass729.30
IUPAC Name6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5cc5c4oc4ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc45)cc3)cc21
InChIInChI=1S/C55H39NO/c1-55(2)50-20-12-11-19-46(50)47-31-27-40(34-51(47)55)38-21-23-39(24-22-38)53-45-18-10-9-15-41(45)33-49-48-35-44(30-32-52(48)57-54(49)53)56(42-16-7-4-8-17-42)43-28-25-37(26-29-43)36-13-5-3-6-14-36/h3-35H,1-2H3
InChIKeyFHKZSADRWYYFSC-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

N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine
CID 169296337
6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295994
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296272
9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine
CID 164799796
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296266
N,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295634
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-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-methylfluoren-9-yl)-N-phenyldibenzofuran-2-amine
CID 169022480
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-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328

Frequently Asked Questions

What is the IUPAC name of 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The IUPAC name of 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine (CID 169295304) is 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine.
What is the SMILES notation for 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The canonical SMILES for 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5cc5c4oc4ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc45)cc3)cc21.
What is the InChIKey of 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
The InChIKey is FHKZSADRWYYFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO/c1-55(2)50-20-12-11-19-46(50)47-31-27-40(34-51(47)55)38-21-23-39(24-22-38)53-45-18-10-9-15-41(45)33-49-48-35-44(30-32-52(48)57-54(49)53)56(42-16-7-4-8-17-42)43-28-25-37(26-29-43)36-13-5-3-6-14-36/h3-35H,1-2H3.
What are the key properties of 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine?
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)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 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine is sourced from PubChem (CID 169295304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).