6-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-1-amine

C63H39NO — CID 169296074

IUPAC6-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cccc3oc4c(-c5cccc6ccccc56)c5ccccc5cc4c23)cc1
InChIInChI=1S/C63H39NO/c1-2-18-41(19-3-1)45-24-11-15-33-57(45)64(43-36-37-50-49-28-10-14-32-55(49)63(56(50)39-43)53-30-12-8-26-47(53)48-27-9-13-31-54(48)63)58-34-17-35-59-61(58)52-38-42-21-5-7-25-46(42)60(62(52)65-59)51-29-16-22-40-20-4-6-23-44(40)51/h1-39H
InChIKeyHLZLPCXFHNXEQB-UHFFFAOYSA-N
MW826.01 g/mol
LogP17.04
Rot. Bonds5

About 6-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-1-amine

6-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-1-amine (PubChem CID 169296074) has the molecular formula C63H39NO and a molecular weight of 826.01 g/mol. Its IUPAC name is 6-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-1-amine.

Molecular Properties

Compound Name6-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-1-amine
PubChem CID169296074
Molecular FormulaC63H39NO
Molecular Weight826.01 g/mol
Exact Mass825.30
IUPAC Name6-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cccc3oc4c(-c5cccc6ccccc56)c5ccccc5cc4c23)cc1
InChIInChI=1S/C63H39NO/c1-2-18-41(19-3-1)45-24-11-15-33-57(45)64(43-36-37-50-49-28-10-14-32-55(49)63(56(50)39-43)53-30-12-8-26-47(53)48-27-9-13-31-54(48)63)58-34-17-35-59-61(58)52-38-42-21-5-7-25-46(42)60(62(52)65-59)51-29-16-22-40-20-4-6-23-44(40)51/h1-39H
InChIKeyHLZLPCXFHNXEQB-UHFFFAOYSA-N
XLogP17.04
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.01
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423752
N-(9,9-dimethylfluoren-2-yl)-6-phenanthren-9-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169295221
2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633873
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444490
N-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-1-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 158322252
N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423614
N-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzofuran-1-amine
CID 176633906
N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717052
6-naphthalen-1-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169295868
N-phenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320690
N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 161172220
N,N-bis(2-phenylphenyl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463062

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-1-amine?
The IUPAC name of 6-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-1-amine (CID 169296074) is 6-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-1-amine.
What is the SMILES notation for 6-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-1-amine?
The canonical SMILES for 6-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-1-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cccc3oc4c(-c5cccc6ccccc56)c5ccccc5cc4c23)cc1.
What is the InChIKey of 6-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-1-amine?
The InChIKey is HLZLPCXFHNXEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39NO/c1-2-18-41(19-3-1)45-24-11-15-33-57(45)64(43-36-37-50-49-28-10-14-32-55(49)63(56(50)39-43)53-30-12-8-26-47(53)48-27-9-13-31-54(48)63)58-34-17-35-59-61(58)52-38-42-21-5-7-25-46(42)60(62(52)65-59)51-29-16-22-40-20-4-6-23-44(40)51/h1-39H.
What are the key properties of 6-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-1-amine?
6-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-1-amine has a molecular weight of 826.01 g/mol, XLogP of 17.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 169296074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).