N-spiro[9H-anthracene-10,9'-fluorene]-1-ylnaphtho[1,2-b][1]benzofuran-6-amine

C42H27NO — CID 167343669

IUPACN-spiro[9H-anthracene-10,9'-fluorene]-1-ylnaphtho[1,2-b][1]benzofuran-6-amine
SMILESc1ccc2c(c1)Cc1c(Nc3cc4ccccc4c4oc5ccccc5c34)cccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C42H27NO/c1-3-14-28-26(12-1)25-38(40-31-17-6-10-23-39(31)44-41(28)40)43-37-22-11-21-36-32(37)24-27-13-2-7-18-33(27)42(36)34-19-8-4-15-29(34)30-16-5-9-20-35(30)42/h1-23,25,43H,24H2
InChIKeyUGWLQEAGWDXYFB-UHFFFAOYSA-N
MW561.68 g/mol
LogP10.75
Rot. Bonds2

About N-spiro[9H-anthracene-10,9'-fluorene]-1-ylnaphtho[1,2-b][1]benzofuran-6-amine

N-spiro[9H-anthracene-10,9'-fluorene]-1-ylnaphtho[1,2-b][1]benzofuran-6-amine (PubChem CID 167343669) has the molecular formula C42H27NO and a molecular weight of 561.68 g/mol. Its IUPAC name is N-spiro[9H-anthracene-10,9'-fluorene]-1-ylnaphtho[1,2-b][1]benzofuran-6-amine.

Molecular Properties

Compound NameN-spiro[9H-anthracene-10,9'-fluorene]-1-ylnaphtho[1,2-b][1]benzofuran-6-amine
PubChem CID167343669
Molecular FormulaC42H27NO
Molecular Weight561.68 g/mol
Exact Mass561.21
IUPAC NameN-spiro[9H-anthracene-10,9'-fluorene]-1-ylnaphtho[1,2-b][1]benzofuran-6-amine
SMILESc1ccc2c(c1)Cc1c(Nc3cc4ccccc4c4oc5ccccc5c34)cccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C42H27NO/c1-3-14-28-26(12-1)25-38(40-31-17-6-10-23-39(31)44-41(28)40)43-37-22-11-21-36-32(37)24-27-13-2-7-18-33(27)42(36)34-19-8-4-15-29(34)30-16-5-9-20-35(30)42/h1-23,25,43H,24H2
InChIKeyUGWLQEAGWDXYFB-UHFFFAOYSA-N
XLogP10.75
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.68
LogP ≤ 510.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-spiro[9H-anthracene-10,9'-fluorene]-1-ylnaphtho[1,2-b][1]benzofuran-6-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

12,18-dibromospiro[10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]
CID 145010498
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine
CID 144724087
N-dibenzofuran-4-ylspiro[fluorene-9,9'-xanthene]-4'-amine
CID 169305044
2-dibenzofuran-1-yl-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775447
6-methyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730522
4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 176624729
N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine
CID 158027045
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 153287871
8-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172545015
N-[2-(9-methylfluoren-9-yl)phenyl]dibenzofuran-4-amine
CID 129293089
N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 169305180
N-naphthalen-1-yl-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)naphtho[1,2-b][1]benzofuran-6-amine
CID 167277589

Frequently Asked Questions

What is the IUPAC name of N-spiro[9H-anthracene-10,9'-fluorene]-1-ylnaphtho[1,2-b][1]benzofuran-6-amine?
The IUPAC name of N-spiro[9H-anthracene-10,9'-fluorene]-1-ylnaphtho[1,2-b][1]benzofuran-6-amine (CID 167343669) is N-spiro[9H-anthracene-10,9'-fluorene]-1-ylnaphtho[1,2-b][1]benzofuran-6-amine.
What is the SMILES notation for N-spiro[9H-anthracene-10,9'-fluorene]-1-ylnaphtho[1,2-b][1]benzofuran-6-amine?
The canonical SMILES for N-spiro[9H-anthracene-10,9'-fluorene]-1-ylnaphtho[1,2-b][1]benzofuran-6-amine is c1ccc2c(c1)Cc1c(Nc3cc4ccccc4c4oc5ccccc5c34)cccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of N-spiro[9H-anthracene-10,9'-fluorene]-1-ylnaphtho[1,2-b][1]benzofuran-6-amine?
The InChIKey is UGWLQEAGWDXYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO/c1-3-14-28-26(12-1)25-38(40-31-17-6-10-23-39(31)44-41(28)40)43-37-22-11-21-36-32(37)24-27-13-2-7-18-33(27)42(36)34-19-8-4-15-29(34)30-16-5-9-20-35(30)42/h1-23,25,43H,24H2.
What are the key properties of N-spiro[9H-anthracene-10,9'-fluorene]-1-ylnaphtho[1,2-b][1]benzofuran-6-amine?
N-spiro[9H-anthracene-10,9'-fluorene]-1-ylnaphtho[1,2-b][1]benzofuran-6-amine has a molecular weight of 561.68 g/mol, XLogP of 10.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[9H-anthracene-10,9'-fluorene]-1-ylnaphtho[1,2-b][1]benzofuran-6-amine is sourced from PubChem (CID 167343669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).