N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-3-phenylnaphtho[2,3-b][1]benzofuran-2-amine

C62H43NO — CID 170675216

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-3-phenylnaphtho[2,3-b][1]benzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc4c(cc3-c3ccccc3)oc3cc5ccccc5cc34)cc21
InChIInChI=1S/C62H43NO/c1-61(2)54-28-16-14-26-47(54)49-32-30-45(36-56(49)61)63(58-38-53-52-34-41-20-12-13-21-42(41)35-59(52)64-60(53)39-51(58)40-18-6-3-7-19-40)46-31-33-50-48-27-15-17-29-55(48)62(57(50)37-46,43-22-8-4-9-23-43)44-24-10-5-11-25-44/h3-39H,1-2H3
InChIKeyGTHQTHYGDNQDGC-UHFFFAOYSA-N
MW818.03 g/mol
LogP16.55
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-3-phenylnaphtho[2,3-b][1]benzofuran-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-3-phenylnaphtho[2,3-b][1]benzofuran-2-amine (PubChem CID 170675216) 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)-3-phenylnaphtho[2,3-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-3-phenylnaphtho[2,3-b][1]benzofuran-2-amine
PubChem CID170675216
Molecular FormulaC62H43NO
Molecular Weight818.03 g/mol
Exact Mass817.33
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-3-phenylnaphtho[2,3-b][1]benzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc4c(cc3-c3ccccc3)oc3cc5ccccc5cc34)cc21
InChIInChI=1S/C62H43NO/c1-61(2)54-28-16-14-26-47(54)49-32-30-45(36-56(49)61)63(58-38-53-52-34-41-20-12-13-21-42(41)35-59(52)64-60(53)39-51(58)40-18-6-3-7-19-40)46-31-33-50-48-27-15-17-29-55(48)62(57(50)37-46,43-22-8-4-9-23-43)44-24-10-5-11-25-44/h3-39H,1-2H3
InChIKeyGTHQTHYGDNQDGC-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)-9-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170674956
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-triphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
CID 155133254
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-8-amine
CID 147619926
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-18-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050055
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-(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
N-[2-(9,9-dimethylfluoren-4-yl)-3-phenylphenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-amine
CID 167285348
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-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163926045
N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 153433790

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-3-phenylnaphtho[2,3-b][1]benzofuran-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-3-phenylnaphtho[2,3-b][1]benzofuran-2-amine (CID 170675216) is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-3-phenylnaphtho[2,3-b][1]benzofuran-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-3-phenylnaphtho[2,3-b][1]benzofuran-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-3-phenylnaphtho[2,3-b][1]benzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cc4c(cc3-c3ccccc3)oc3cc5ccccc5cc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-3-phenylnaphtho[2,3-b][1]benzofuran-2-amine?
The InChIKey is GTHQTHYGDNQDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43NO/c1-61(2)54-28-16-14-26-47(54)49-32-30-45(36-56(49)61)63(58-38-53-52-34-41-20-12-13-21-42(41)35-59(52)64-60(53)39-51(58)40-18-6-3-7-19-40)46-31-33-50-48-27-15-17-29-55(48)62(57(50)37-46,43-22-8-4-9-23-43)44-24-10-5-11-25-44/h3-39H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-3-phenylnaphtho[2,3-b][1]benzofuran-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-3-phenylnaphtho[2,3-b][1]benzofuran-2-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)-3-phenylnaphtho[2,3-b][1]benzofuran-2-amine is sourced from PubChem (CID 170675216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).