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

C177H108N6S6 — CID 165048712

IUPACN-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
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4cccc6cccc-5c46)c4cccc5sc6ccccc6c45)ccc32)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cccc4cccc-3c24)c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cccc4cccc-3c24)c2ccc3c(c2)c2ccccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/3C59H36N2S2/c1-2-17-38(18-3-1)61-50-25-8-4-19-42(50)45-35-39(32-34-51(45)61)60(52-26-14-30-56-58(52)44-20-5-9-27-53(44)62-56)40-31-33-41-43-21-12-15-37-16-13-24-48(57(37)43)59(49(41)36-40)46-22-6-10-28-54(46)63-55-29-11-7-23-47(55)59;1-2-16-38(17-3-1)60(39-30-33-53-47(34-39)43-18-4-8-24-52(43)61(53)41-29-32-45-44-19-5-9-25-54(44)62-57(45)36-41)40-28-31-42-46-20-12-14-37-15-13-23-50(58(37)46)59(51(42)35-40)48-21-6-10-26-55(48)63-56-27-11-7-22-49(56)59;1-2-16-38(17-3-1)60(39-29-32-53-46(34-39)43-18-4-8-24-52(43)61(53)40-30-33-55-47(35-40)44-19-5-9-25-54(44)62-55)41-28-31-42-45-20-12-14-37-15-13-23-50(58(37)45)59(51(42)36-41)48-21-6-10-26-56(48)63-57-27-11-7-22-49(57)59/h3*1-36H
InChIKeyPHWCSWLQKWNRBK-UHFFFAOYSA-N
MW2511.25 g/mol
LogP49.81
Rot. Bonds12

About 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

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 (PubChem CID 165048712) has the molecular formula C177H108N6S6 and a molecular weight of 2511.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID165048712
Molecular FormulaC177H108N6S6
Molecular Weight2511.25 g/mol
Exact Mass2508.70
IUPAC NameN-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
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4cccc6cccc-5c46)c4cccc5sc6ccccc6c45)ccc32)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cccc4cccc-3c24)c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cccc4cccc-3c24)c2ccc3c(c2)c2ccccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/3C59H36N2S2/c1-2-17-38(18-3-1)61-50-25-8-4-19-42(50)45-35-39(32-34-51(45)61)60(52-26-14-30-56-58(52)44-20-5-9-27-53(44)62-56)40-31-33-41-43-21-12-15-37-16-13-24-48(57(37)43)59(49(41)36-40)46-22-6-10-28-54(46)63-55-29-11-7-23-47(55)59;1-2-16-38(17-3-1)60(39-30-33-53-47(34-39)43-18-4-8-24-52(43)61(53)41-29-32-45-44-19-5-9-25-54(44)62-57(45)36-41)40-28-31-42-46-20-12-14-37-15-13-23-50(58(37)46)59(51(42)35-40)48-21-6-10-26-55(48)63-56-27-11-7-22-49(56)59;1-2-16-38(17-3-1)60(39-29-32-53-46(34-39)43-18-4-8-24-52(43)61(53)40-30-33-55-47(35-40)44-19-5-9-25-54(44)62-55)41-28-31-42-45-20-12-14-37-15-13-23-50(58(37)45)59(51(42)36-41)48-21-6-10-26-56(48)63-57-27-11-7-22-49(57)59/h3*1-36H
InChIKeyPHWCSWLQKWNRBK-UHFFFAOYSA-N
XLogP49.81
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002511.25
LogP ≤ 549.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 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

N-dibenzothiophen-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794564
N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
CID 164794672
9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
CID 164794351
9-dibenzothiophen-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732111
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
N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
CID 164794241
N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine;9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylcarbazol-2-amine
CID 165082920
9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-ylcarbazol-2-amine
CID 164793872
N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 164794408
N-dibenzothiophen-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-4-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164953994
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
CID 165052697
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164961963

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4cccc6cccc-5c46)c4cccc5sc6ccccc6c45)ccc32)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cccc4cccc-3c24)c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)sc2ccccc23)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4Sc4ccccc42)c2cccc4cccc-3c24)c2ccc3c(c2)c2ccccc2n3-c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of 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?
The InChIKey is PHWCSWLQKWNRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C59H36N2S2/c1-2-17-38(18-3-1)61-50-25-8-4-19-42(50)45-35-39(32-34-51(45)61)60(52-26-14-30-56-58(52)44-20-5-9-27-53(44)62-56)40-31-33-41-43-21-12-15-37-16-13-24-48(57(37)43)59(49(41)36-40)46-22-6-10-28-54(46)63-55-29-11-7-23-47(55)59;1-2-16-38(17-3-1)60(39-30-33-53-47(34-39)43-18-4-8-24-52(43)61(53)41-29-32-45-44-19-5-9-25-54(44)62-57(45)36-41)40-28-31-42-46-20-12-14-37-15-13-23-50(58(37)46)59(51(42)35-40)48-21-6-10-26-55(48)63-56-27-11-7-22-49(56)59;1-2-16-38(17-3-1)60(39-29-32-53-46(34-39)43-18-4-8-24-52(43)61(53)40-30-33-55-47(35-40)44-19-5-9-25-54(44)62-55)41-28-31-42-45-20-12-14-37-15-13-23-50(58(37)45)59(51(42)36-41)48-21-6-10-26-56(48)63-57-27-11-7-22-49(57)59/h3*1-36H.
What are the key properties of 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?
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 has a molecular weight of 2511.25 g/mol, XLogP of 49.81, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165048712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).