7-(2-bicyclo[2.2.1]heptanyl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine

C56H45NO — CID 169028673

IUPAC7-(2-bicyclo[2.2.1]heptanyl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5cccc(-c6ccccc6)c45)c3)c3ccc4c(c3)oc3cc(C5CC6CCC5C6)ccc34)cc21
InChIInChI=1S/C56H45NO/c1-56(2)51-20-7-6-17-46(51)47-27-24-42(33-52(47)56)57(43-25-28-49-48-26-23-40(32-53(48)58-54(49)34-43)50-30-35-21-22-39(50)29-35)41-16-8-15-38(31-41)45-19-10-14-37-13-9-18-44(55(37)45)36-11-4-3-5-12-36/h3-20,23-28,31-35,39,50H,21-22,29-30H2,1-2H3
InChIKeyCFQIUPIDUSWHGN-UHFFFAOYSA-N
MW747.98 g/mol
LogP15.75
Rot. Bonds6

About 7-(2-bicyclo[2.2.1]heptanyl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine

7-(2-bicyclo[2.2.1]heptanyl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine (PubChem CID 169028673) has the molecular formula C56H45NO and a molecular weight of 747.98 g/mol. Its IUPAC name is 7-(2-bicyclo[2.2.1]heptanyl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound Name7-(2-bicyclo[2.2.1]heptanyl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
PubChem CID169028673
Molecular FormulaC56H45NO
Molecular Weight747.98 g/mol
Exact Mass747.35
IUPAC Name7-(2-bicyclo[2.2.1]heptanyl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5cccc(-c6ccccc6)c45)c3)c3ccc4c(c3)oc3cc(C5CC6CCC5C6)ccc34)cc21
InChIInChI=1S/C56H45NO/c1-56(2)51-20-7-6-17-46(51)47-27-24-42(33-52(47)56)57(43-25-28-49-48-26-23-40(32-53(48)58-54(49)34-43)50-30-35-21-22-39(50)29-35)41-16-8-15-38(31-41)45-19-10-14-37-13-9-18-44(55(37)45)36-11-4-3-5-12-36/h3-20,23-28,31-35,39,50H,21-22,29-30H2,1-2H3
InChIKeyCFQIUPIDUSWHGN-UHFFFAOYSA-N
XLogP15.75
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.98
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
CID 171438962
N-[4-[4-[4-(N-[3-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611527
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 168771779
N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 169285279
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenyl-N-[4-(triphenyl-λ4-sulfanyl)phenyl]fluoren-2-amine
CID 170176187
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-6-naphthalen-1-yl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 168738505
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-9,9-dimethyl-5-phenylfluoren-2-amine
CID 168738714
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 168738501
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028701
9,9-dimethyl-N-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 168807283
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(3-cyclohexylphenyl)-9,9-dimethyl-6-naphthalen-1-ylfluoren-2-amine
CID 168739049
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[3-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-8-naphthalen-1-ylfluoren-2-amine
CID 168739061

Frequently Asked Questions

What is the IUPAC name of 7-(2-bicyclo[2.2.1]heptanyl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of 7-(2-bicyclo[2.2.1]heptanyl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine (CID 169028673) is 7-(2-bicyclo[2.2.1]heptanyl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for 7-(2-bicyclo[2.2.1]heptanyl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for 7-(2-bicyclo[2.2.1]heptanyl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5cccc(-c6ccccc6)c45)c3)c3ccc4c(c3)oc3cc(C5CC6CCC5C6)ccc34)cc21.
What is the InChIKey of 7-(2-bicyclo[2.2.1]heptanyl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is CFQIUPIDUSWHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45NO/c1-56(2)51-20-7-6-17-46(51)47-27-24-42(33-52(47)56)57(43-25-28-49-48-26-23-40(32-53(48)58-54(49)34-43)50-30-35-21-22-39(50)29-35)41-16-8-15-38(31-41)45-19-10-14-37-13-9-18-44(55(37)45)36-11-4-3-5-12-36/h3-20,23-28,31-35,39,50H,21-22,29-30H2,1-2H3.
What are the key properties of 7-(2-bicyclo[2.2.1]heptanyl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
7-(2-bicyclo[2.2.1]heptanyl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 747.98 g/mol, XLogP of 15.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bicyclo[2.2.1]heptanyl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 169028673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).