9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine

C63H38N2OS — CID 164794741

IUPAC9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3cccc4oc5ccccc5c34)c3cccc4ccccc34)c3cccc1c23
InChIInChI=1S/C63H38N2OS/c1-2-18-41-39(16-1)17-13-28-52(41)64(40-34-36-55-47(38-40)43-20-4-9-27-53(43)65(55)56-29-15-31-58-62(56)46-21-5-10-30-57(46)66-58)54-37-35-44-42-19-3-6-23-48(42)63(51-26-14-22-45(54)61(44)51)49-24-7-11-32-59(49)67-60-33-12-8-25-50(60)63/h1-38H
InChIKeyMLBNJOUYYLEIHK-UHFFFAOYSA-N
MW871.08 g/mol
LogP17.29
Rot. Bonds4

About 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine

9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine (PubChem CID 164794741) has the molecular formula C63H38N2OS and a molecular weight of 871.08 g/mol. Its IUPAC name is 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine.

Molecular Properties

Compound Name9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine
PubChem CID164794741
Molecular FormulaC63H38N2OS
Molecular Weight871.08 g/mol
Exact Mass870.27
IUPAC Name9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3cccc4oc5ccccc5c34)c3cccc4ccccc34)c3cccc1c23
InChIInChI=1S/C63H38N2OS/c1-2-18-41-39(16-1)17-13-28-52(41)64(40-34-36-55-47(38-40)43-20-4-9-27-53(43)65(55)56-29-15-31-58-62(56)46-21-5-10-30-57(46)66-58)54-37-35-44-42-19-3-6-23-48(42)63(51-26-14-22-45(54)61(44)51)49-24-7-11-32-59(49)67-60-33-12-8-25-50(60)63/h1-38H
InChIKeyMLBNJOUYYLEIHK-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

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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-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794572
N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-dibenzofuran-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine
CID 165068251
9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine
CID 164794727
N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine
CID 164794018
N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine
CID 164794814
N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine
CID 164794575
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
N-[2-[2-(9-dibenzofuran-1-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine
CID 118337434
9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
CID 164794005
N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
CID 164794672
N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-yldibenzofuran-3-amine
CID 164793860

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine?
The IUPAC name of 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine (CID 164794741) is 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine.
What is the SMILES notation for 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine?
The canonical SMILES for 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine is c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3cccc4oc5ccccc5c34)c3cccc4ccccc34)c3cccc1c23.
What is the InChIKey of 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine?
The InChIKey is MLBNJOUYYLEIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N2OS/c1-2-18-41-39(16-1)17-13-28-52(41)64(40-34-36-55-47(38-40)43-20-4-9-27-53(43)65(55)56-29-15-31-58-62(56)46-21-5-10-30-57(46)66-58)54-37-35-44-42-19-3-6-23-48(42)63(51-26-14-22-45(54)61(44)51)49-24-7-11-32-59(49)67-60-33-12-8-25-50(60)63/h1-38H.
What are the key properties of 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine?
9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-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 9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine is sourced from PubChem (CID 164794741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).