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

C59H36N2S2 — CID 164794241

IUPACN-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)Sc4ccccc4C54c5ccccc5-c5cccc6cccc4c56)c4ccc5sc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C59H36N2S2/c1-2-16-38(17-3-1)61-52-25-9-5-19-43(52)44-31-28-40(35-53(44)61)60(39-30-33-55-47(34-39)45-20-6-10-26-54(45)62-55)41-29-32-50-57(36-41)63-56-27-11-8-23-49(56)59(50)48-22-7-4-18-42(48)46-21-12-14-37-15-13-24-51(59)58(37)46/h1-36H
InChIKeySAEDXXZYDZAPEO-UHFFFAOYSA-N
MW837.09 g/mol
LogP16.60
Rot. Bonds4

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

N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine (PubChem CID 164794241) has the molecular formula C59H36N2S2 and a molecular weight of 837.09 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
PubChem CID164794241
Molecular FormulaC59H36N2S2
Molecular Weight837.09 g/mol
Exact Mass836.23
IUPAC NameN-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)Sc4ccccc4C54c5ccccc5-c5cccc6cccc4c56)c4ccc5sc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C59H36N2S2/c1-2-16-38(17-3-1)61-52-25-9-5-19-43(52)44-31-28-40(35-53(44)61)60(39-30-33-55-47(34-39)45-20-6-10-26-54(45)62-55)41-29-32-50-57(36-41)63-56-27-11-8-23-49(56)59(50)48-22-7-4-18-42(48)46-21-12-14-37-15-13-24-51(59)58(37)46/h1-36H
InChIKeySAEDXXZYDZAPEO-UHFFFAOYSA-N
XLogP16.60
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.09
LogP ≤ 516.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794564
9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
CID 164793872
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine
CID 164793862
N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-3-amine
CID 164794575
9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732111
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
CID 164794703
N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
CID 165048712
9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
CID 164794005
9-phenyl-N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)carbazol-2-amine
CID 164960518
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794269
9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 164793908
9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-ylcarbazol-3-amine;9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 165056524

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine?
The IUPAC name of N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine (CID 164794241) is N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)Sc4ccccc4C54c5ccccc5-c5cccc6cccc4c56)c4ccc5sc6ccccc6c5c4)cc32)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine?
The InChIKey is SAEDXXZYDZAPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2S2/c1-2-16-38(17-3-1)61-52-25-9-5-19-43(52)44-31-28-40(35-53(44)61)60(39-30-33-55-47(34-39)45-20-6-10-26-54(45)62-55)41-29-32-50-57(36-41)63-56-27-11-8-23-49(56)59(50)48-22-7-4-18-42(48)46-21-12-14-37-15-13-24-51(59)58(37)46/h1-36H.
What are the key properties of N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine?
N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine has a molecular weight of 837.09 g/mol, XLogP of 16.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine is sourced from PubChem (CID 164794241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).