9,9-dimethyl-N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine

C47H33NO — CID 166938669

IUPAC9,9-dimethyl-N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccccc3-c3cccc4oc5c6ccccc6ccc5c34)c3cccc4ccccc34)c21
InChIInChI=1S/C47H33NO/c1-47(2)39-23-9-7-19-34(39)37-22-12-26-42(45(37)47)48(40-25-11-16-30-14-3-5-17-32(30)40)41-24-10-8-20-35(41)36-21-13-27-43-44(36)38-29-28-31-15-4-6-18-33(31)46(38)49-43/h3-29H,1-2H3
InChIKeyISTOAKFBFRKFSW-UHFFFAOYSA-N
MW627.79 g/mol
LogP13.34
Rot. Bonds4

About 9,9-dimethyl-N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine

9,9-dimethyl-N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine (PubChem CID 166938669) has the molecular formula C47H33NO and a molecular weight of 627.79 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine
PubChem CID166938669
Molecular FormulaC47H33NO
Molecular Weight627.79 g/mol
Exact Mass627.26
IUPAC Name9,9-dimethyl-N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccccc3-c3cccc4oc5c6ccccc6ccc5c34)c3cccc4ccccc34)c21
InChIInChI=1S/C47H33NO/c1-47(2)39-23-9-7-19-34(39)37-22-12-26-42(45(37)47)48(40-25-11-16-30-14-3-5-17-32(30)40)41-24-10-8-20-35(41)36-21-13-27-43-44(36)38-29-28-31-15-4-6-18-33(31)46(38)49-43/h3-29H,1-2H3
InChIKeyISTOAKFBFRKFSW-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

Analyze 9,9-dimethyl-N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-1-amine
CID 166938674
N-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-4-amine
CID 166938750
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine
CID 167330799
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 170143261
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 166938756
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330344
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738062
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
CID 167330802
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217158
8-N,22-N-bis(9,9-dimethylfluoren-1-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 165066594
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 177121634
N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069590

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine (CID 166938669) is 9,9-dimethyl-N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine is CC1(C)c2ccccc2-c2cccc(N(c3ccccc3-c3cccc4oc5c6ccccc6ccc5c34)c3cccc4ccccc34)c21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine?
The InChIKey is ISTOAKFBFRKFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NO/c1-47(2)39-23-9-7-19-34(39)37-22-12-26-42(45(37)47)48(40-25-11-16-30-14-3-5-17-32(30)40)41-24-10-8-20-35(41)36-21-13-27-43-44(36)38-29-28-31-15-4-6-18-33(31)46(38)49-43/h3-29H,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine?
9,9-dimethyl-N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-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 9,9-dimethyl-N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine is sourced from PubChem (CID 166938669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).