9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine

C59H36N2OS — CID 164794771

IUPAC9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)c2ccc3c4c(cccc24)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C59H36N2OS/c1-2-15-37(16-3-1)60(39-29-31-42-41-18-5-10-25-51(41)61(53(42)36-39)38-30-34-57-46(35-38)43-19-6-13-28-56(43)63-57)52-33-32-44-40-17-4-7-21-47(40)59(50-24-14-20-45(52)58(44)50)48-22-8-11-26-54(48)62-55-27-12-9-23-49(55)59/h1-36H
InChIKeyNYHLWUDPUKVPSJ-UHFFFAOYSA-N
MW821.02 g/mol
LogP16.24
Rot. Bonds4

About 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine

9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine (PubChem CID 164794771) has the molecular formula C59H36N2OS and a molecular weight of 821.02 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine
PubChem CID164794771
Molecular FormulaC59H36N2OS
Molecular Weight821.02 g/mol
Exact Mass820.25
IUPAC Name9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)c2ccc3c4c(cccc24)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C59H36N2OS/c1-2-15-37(16-3-1)60(39-29-31-42-41-18-5-10-25-51(41)61(53(42)36-39)38-30-34-57-46(35-38)43-19-6-13-28-56(43)63-57)52-33-32-44-40-17-4-7-21-47(40)59(50-24-14-20-45(52)58(44)50)48-22-8-11-26-54(48)62-55-27-12-9-23-49(55)59/h1-36H
InChIKeyNYHLWUDPUKVPSJ-UHFFFAOYSA-N
XLogP16.24
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.02
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164793908
9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine
CID 164794957
9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine
CID 164732018
9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine
CID 164794803
9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732111
N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine;9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine
CID 165031966
9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164794838
9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 164794886
N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine
CID 164965051
N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 164794408
N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 165077134
9-dibenzothiophen-3-yl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine
CID 167122980

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine?
The IUPAC name of 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine (CID 164794771) is 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine.
What is the SMILES notation for 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine?
The canonical SMILES for 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine is c1ccc(N(c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)c2ccc3c4c(cccc24)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine?
The InChIKey is NYHLWUDPUKVPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2OS/c1-2-15-37(16-3-1)60(39-29-31-42-41-18-5-10-25-51(41)61(53(42)36-39)38-30-34-57-46(35-38)43-19-6-13-28-56(43)63-57)52-33-32-44-40-17-4-7-21-47(40)59(50-24-14-20-45(52)58(44)50)48-22-8-11-26-54(48)62-55-27-12-9-23-49(55)59/h1-36H.
What are the key properties of 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine?
9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine has a molecular weight of 821.02 g/mol, XLogP of 16.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine is sourced from PubChem (CID 164794771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).