N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine

C55H33NO2 — CID 164794531

IUPACN-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
SMILESc1ccc2c(c1)Oc1cc(N(c3ccc4c(c3)oc3c5ccccc5ccc43)c3cccc4ccccc34)ccc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C55H33NO2/c1-3-17-39-34(12-1)14-11-24-49(39)56(37-27-30-42-44-29-26-35-13-2-4-18-40(35)54(44)58-51(42)32-37)38-28-31-47-52(33-38)57-50-25-8-7-22-46(50)55(47)45-21-6-5-19-41(45)43-20-9-15-36-16-10-23-48(55)53(36)43/h1-33H
InChIKeyXVVJTARESFTXIJ-UHFFFAOYSA-N
MW739.87 g/mol
LogP14.98
Rot. Bonds3

About N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine

N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine (PubChem CID 164794531) has the molecular formula C55H33NO2 and a molecular weight of 739.87 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
PubChem CID164794531
Molecular FormulaC55H33NO2
Molecular Weight739.87 g/mol
Exact Mass739.25
IUPAC NameN-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
SMILESc1ccc2c(c1)Oc1cc(N(c3ccc4c(c3)oc3c5ccccc5ccc43)c3cccc4ccccc34)ccc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C55H33NO2/c1-3-17-39-34(12-1)14-11-24-49(39)56(37-27-30-42-44-29-26-35-13-2-4-18-40(35)54(44)58-51(42)32-37)38-28-31-47-52(33-38)57-50-25-8-7-22-46(50)55(47)45-21-6-5-19-41(45)43-20-9-15-36-16-10-23-48(55)53(36)43/h1-33H
InChIKeyXVVJTARESFTXIJ-UHFFFAOYSA-N
XLogP14.98
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.87
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-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

N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164794441
N-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine
CID 170272549
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(9-phenylxanthen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 166679306
N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 164794305
N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine
CID 164794270
N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794801
N-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine
CID 164974952
N-dibenzothiophen-3-yl-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-xanthene]-9-amine
CID 164794694
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-10-amine
CID 164730828
N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-yldibenzofuran-3-amine
CID 164793860
N-naphtho[2,1-b][1]benzofuran-9-yl-N-phenylspiro[fluorene-9,9'-xanthene]-1'-amine
CID 166849505
N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 164960101

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine?
The IUPAC name of N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine (CID 164794531) is N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine?
The canonical SMILES for N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine is c1ccc2c(c1)Oc1cc(N(c3ccc4c(c3)oc3c5ccccc5ccc43)c3cccc4ccccc34)ccc1C21c2ccccc2-c2cccc3cccc1c23.
What is the InChIKey of N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine?
The InChIKey is XVVJTARESFTXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33NO2/c1-3-17-39-34(12-1)14-11-24-49(39)56(37-27-30-42-44-29-26-35-13-2-4-18-40(35)54(44)58-51(42)32-37)38-28-31-47-52(33-38)57-50-25-8-7-22-46(50)55(47)45-21-6-5-19-41(45)43-20-9-15-36-16-10-23-48(55)53(36)43/h1-33H.
What are the key properties of N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine?
N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine has a molecular weight of 739.87 g/mol, XLogP of 14.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-naphtho[1,2-b][1]benzofuran-9-ylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine is sourced from PubChem (CID 164794531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).