N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine

C62H43NO — CID 170674956

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc4c(cc3-c3ccccc3)oc3ccc5ccccc5c34)cc21
InChIInChI=1S/C62H43NO/c1-61(2)53-28-16-14-26-47(53)49-33-31-44(36-55(49)61)63(57-38-52-59(39-51(57)40-18-6-3-7-19-40)64-58-35-30-41-20-12-13-25-46(41)60(52)58)45-32-34-50-48-27-15-17-29-54(48)62(56(50)37-45,42-21-8-4-9-22-42)43-23-10-5-11-24-43/h3-39H,1-2H3
InChIKeyLMSZVHYECKGJAU-UHFFFAOYSA-N
MW818.03 g/mol
LogP16.55
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine (PubChem CID 170674956) has the molecular formula C62H43NO and a molecular weight of 818.03 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine
PubChem CID170674956
Molecular FormulaC62H43NO
Molecular Weight818.03 g/mol
Exact Mass817.33
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc4c(cc3-c3ccccc3)oc3ccc5ccccc5c34)cc21
InChIInChI=1S/C62H43NO/c1-61(2)53-28-16-14-26-47(53)49-33-31-44(36-55(49)61)63(57-38-52-59(39-51(57)40-18-6-3-7-19-40)64-58-35-30-41-20-12-13-25-46(41)60(52)58)45-32-34-50-48-27-15-17-29-54(48)62(56(50)37-45,42-21-8-4-9-22-42)43-23-10-5-11-24-43/h3-39H,1-2H3
InChIKeyLMSZVHYECKGJAU-UHFFFAOYSA-N
XLogP16.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.03
LogP ≤ 516.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-3-phenylnaphtho[2,3-b][1]benzofuran-2-amine
CID 170675216
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-8-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 170674938
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-yl-2-phenylphenyl)fluoren-2-amine
CID 155181598
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 67964174
N-(9,9-dimethylfluoren-2-yl)-9-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170674936
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 160929151
N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 161172662
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321800
9,9-dimethyl-N-naphthalen-1-yl-N-[4-phenyl-3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]fluoren-2-amine
CID 169292946
9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 160807654
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 170239526
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 170675439

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine (CID 170674956) is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc4c(cc3-c3ccccc3)oc3ccc5ccccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
The InChIKey is LMSZVHYECKGJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43NO/c1-61(2)53-28-16-14-26-47(53)49-33-31-44(36-55(49)61)63(57-38-52-59(39-51(57)40-18-6-3-7-19-40)64-58-35-30-41-20-12-13-25-46(41)60(52)58)45-32-34-50-48-27-15-17-29-54(48)62(56(50)37-45,42-21-8-4-9-22-42)43-23-10-5-11-24-43/h3-39H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine has a molecular weight of 818.03 g/mol, XLogP of 16.55, 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)-N-(9,9-diphenylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 170674956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).