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

C55H39NO — CID 169296272

IUPAC6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)ccc34)cc21
InChIInChI=1S/C55H39NO/c1-55(2)50-20-12-11-19-46(50)47-31-25-41(34-51(47)55)53-45-18-10-9-17-40(45)33-49-48-32-30-44(35-52(48)57-54(49)53)56(42-26-21-38(22-27-42)36-13-5-3-6-14-36)43-28-23-39(24-29-43)37-15-7-4-8-16-37/h3-35H,1-2H3
InChIKeyDLSXCJVWJNOZGP-UHFFFAOYSA-N
MW729.92 g/mol
LogP15.52
Rot. Bonds6

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

6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 169296272) 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,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound Name6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
PubChem CID169296272
Molecular FormulaC55H39NO
Molecular Weight729.92 g/mol
Exact Mass729.30
IUPAC Name6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)ccc34)cc21
InChIInChI=1S/C55H39NO/c1-55(2)50-20-12-11-19-46(50)47-31-25-41(34-51(47)55)53-45-18-10-9-17-40(45)33-49-48-32-30-44(35-52(48)57-54(49)53)56(42-26-21-38(22-27-42)36-13-5-3-6-14-36)43-28-23-39(24-29-43)37-15-7-4-8-16-37/h3-35H,1-2H3
InChIKeyDLSXCJVWJNOZGP-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,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295606
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296266
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295312
6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295994
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 169295304
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine
CID 169296337
N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296132
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295604
N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295352
6-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295605
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295552
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296213

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine (CID 169296272) is 6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for 6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for 6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)ccc34)cc21.
What is the InChIKey of 6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is DLSXCJVWJNOZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO/c1-55(2)50-20-12-11-19-46(50)47-31-25-41(34-51(47)55)53-45-18-10-9-17-40(45)33-49-48-32-30-44(35-52(48)57-54(49)53)56(42-26-21-38(22-27-42)36-13-5-3-6-14-36)43-28-23-39(24-29-43)37-15-7-4-8-16-37/h3-35H,1-2H3.
What are the key properties of 6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine?
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-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,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 169296272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).