N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine

C63H38N2OS — CID 164794814

IUPACN-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine
SMILESc1ccc2c(c1)Sc1ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)cc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C63H38N2OS/c1-2-18-44-39(14-1)15-13-27-55(44)65-56-26-8-4-20-46(56)47-33-30-42(37-57(47)65)64(43-31-34-49-48-21-5-9-28-58(48)66-59(49)38-43)41-32-35-61-54(36-41)63(52-24-7-10-29-60(52)67-61)51-23-6-3-19-45(51)50-22-11-16-40-17-12-25-53(63)62(40)50/h1-38H
InChIKeyZLCAOVVGXLOTMU-UHFFFAOYSA-N
MW871.08 g/mol
LogP17.29
Rot. Bonds4

About N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine

N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine (PubChem CID 164794814) has the molecular formula C63H38N2OS and a molecular weight of 871.08 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine
PubChem CID164794814
Molecular FormulaC63H38N2OS
Molecular Weight871.08 g/mol
Exact Mass870.27
IUPAC NameN-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine
SMILESc1ccc2c(c1)Sc1ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)cc1C21c2ccccc2-c2cccc3cccc1c23
InChIInChI=1S/C63H38N2OS/c1-2-18-44-39(14-1)15-13-27-55(44)65-56-26-8-4-20-46(56)47-33-30-42(37-57(47)65)64(43-31-34-49-48-21-5-9-28-58(48)66-59(49)38-43)41-32-35-61-54(36-41)63(52-24-7-10-29-60(52)67-61)51-23-6-3-19-45(51)50-22-11-16-40-17-12-25-53(63)62(40)50/h1-38H
InChIKeyZLCAOVVGXLOTMU-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

N-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794572
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794269
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]-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-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-yldibenzofuran-3-amine
CID 164793860
N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine
CID 164794829
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
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732009
N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 164794861
N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 138476092
9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine
CID 164794741
9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
CID 164794005

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine?
The IUPAC name of N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine (CID 164794814) is N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine?
The canonical SMILES for N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine is c1ccc2c(c1)Sc1ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)cc1C21c2ccccc2-c2cccc3cccc1c23.
What is the InChIKey of N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine?
The InChIKey is ZLCAOVVGXLOTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N2OS/c1-2-18-44-39(14-1)15-13-27-55(44)65-56-26-8-4-20-46(56)47-33-30-42(37-57(47)65)64(43-31-34-49-48-21-5-9-28-58(48)66-59(49)38-43)41-32-35-61-54(36-41)63(52-24-7-10-29-60(52)67-61)51-23-6-3-19-45(51)50-22-11-16-40-17-12-25-53(63)62(40)50/h1-38H.
What are the key properties of N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine?
N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-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-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-2-amine is sourced from PubChem (CID 164794814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).