N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

C47H33NO — CID 166028626

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3oc3ccc5ccccc5c34)cc21
InChIInChI=1S/C47H33NO/c1-47(2)41-16-8-7-14-38(41)39-26-25-36(29-42(39)47)48(35-23-20-31(21-24-35)34-19-18-30-10-3-4-12-33(30)28-34)43-17-9-15-40-45-37-13-6-5-11-32(37)22-27-44(45)49-46(40)43/h3-29H,1-2H3
InChIKeyWUGPDGUYQPTBLV-UHFFFAOYSA-N
MW627.79 g/mol
LogP13.34
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 166028626) has the molecular formula C47H33NO and a molecular weight of 627.79 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID166028626
Molecular FormulaC47H33NO
Molecular Weight627.79 g/mol
Exact Mass627.26
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3oc3ccc5ccccc5c34)cc21
InChIInChI=1S/C47H33NO/c1-47(2)41-16-8-7-14-38(41)39-26-25-36(29-42(39)47)48(35-23-20-31(21-24-35)34-19-18-30-10-3-4-12-33(30)28-34)43-17-9-15-40-45-37-13-6-5-11-32(37)22-27-44(45)49-46(40)43/h3-29H,1-2H3
InChIKeyWUGPDGUYQPTBLV-UHFFFAOYSA-N
XLogP13.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 166028540
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028544
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)fluoren-3-amine
CID 170035949
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 159844294
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;9,9-dimethyl-N-naphthalen-1-yl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 159656584
N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730497
N-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine
CID 164764699
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 170675307
N-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295713

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (CID 166028626) is N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3oc3ccc5ccccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is WUGPDGUYQPTBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NO/c1-47(2)41-16-8-7-14-38(41)39-26-25-36(29-42(39)47)48(35-23-20-31(21-24-35)34-19-18-30-10-3-4-12-33(30)28-34)43-17-9-15-40-45-37-13-6-5-11-32(37)22-27-44(45)49-46(40)43/h3-29H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 627.79 g/mol, XLogP of 13.34, 4 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-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 166028626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).