N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine

C63H38N2OS — CID 164794572

IUPACN-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2cc(N(c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)c3cccc4oc5ccccc5c34)ccc2-c2cccc3cccc1c23
InChIInChI=1S/C63H38N2OS/c1-2-19-43-39(15-1)16-13-27-53(43)65-54-26-7-3-20-45(54)46-36-34-42(38-56(46)65)64(55-28-14-30-58-62(55)48-21-4-8-29-57(48)66-58)41-33-35-44-47-22-11-17-40-18-12-25-51(61(40)47)63(52(44)37-41)49-23-5-9-31-59(49)67-60-32-10-6-24-50(60)63/h1-38H
InChIKeyPETLCWLBRXATLA-UHFFFAOYSA-N
MW871.08 g/mol
LogP17.29
Rot. Bonds4

About N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine

N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine (PubChem CID 164794572) has the molecular formula C63H38N2OS and a molecular weight of 871.08 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
PubChem CID164794572
Molecular FormulaC63H38N2OS
Molecular Weight871.08 g/mol
Exact Mass870.27
IUPAC NameN-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2cc(N(c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)c3cccc4oc5ccccc5c34)ccc2-c2cccc3cccc1c23
InChIInChI=1S/C63H38N2OS/c1-2-19-43-39(15-1)16-13-27-53(43)65-54-26-7-3-20-45(54)46-36-34-42(38-56(46)65)64(55-28-14-30-58-62(55)48-21-4-8-29-57(48)66-58)41-33-35-44-47-22-11-17-40-18-12-25-51(61(40)47)63(52(44)37-41)49-23-5-9-31-59(49)67-60-32-10-6-24-50(60)63/h1-38H
InChIKeyPETLCWLBRXATLA-UHFFFAOYSA-N
XLogP17.29
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.08
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-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-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794905
N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine
CID 164794814
N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine
CID 165064213
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794269
N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
CID 164794672
9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine
CID 164794741
N-dibenzofuran-1-yl-9-phenyl-N-(1',2',3',4'-tetradeuteriospiro[benzo[a]phenalene-7,9'-fluorene]-9-yl)carbazol-2-amine
CID 164975470
N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine
CID 164794829
N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-yldibenzofuran-3-amine
CID 164793860
9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
CID 164794005
N-dibenzofuran-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine;N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine
CID 165097642
9-dibenzofuran-1-yl-N-(5',5'-dimethylspiro[benzo[a]phenalene-7,10'-benzo[b][1]benzosiline]-3'-yl)-N-naphthalen-1-ylcarbazol-2-amine
CID 164793942

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine?
The IUPAC name of N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine (CID 164794572) is N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine?
The canonical SMILES for N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine is c1ccc2c(c1)Sc1ccccc1C21c2cc(N(c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)c3cccc4oc5ccccc5c34)ccc2-c2cccc3cccc1c23.
What is the InChIKey of N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine?
The InChIKey is PETLCWLBRXATLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N2OS/c1-2-19-43-39(15-1)16-13-27-53(43)65-54-26-7-3-20-45(54)46-36-34-42(38-56(46)65)64(55-28-14-30-58-62(55)48-21-4-8-29-57(48)66-58)41-33-35-44-47-22-11-17-40-18-12-25-51(61(40)47)63(52(44)37-41)49-23-5-9-31-59(49)67-60-32-10-6-24-50(60)63/h1-38H.
What are the key properties of N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine?
N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine has a molecular weight of 871.08 g/mol, XLogP of 17.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine is sourced from PubChem (CID 164794572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).