9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine)

C165H104N6O3S — CID 164965781

IUPAC9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine)
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)c2ccccc2n3-c2cccc3sc4ccccc4c23)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C59H36N2OS.2C53H34N2O/c1-2-17-38(18-3-1)60(39-31-33-51-45(35-39)42-20-5-9-26-50(42)61(51)52-27-14-30-56-58(52)44-21-6-11-29-55(44)63-56)40-32-34-54-49(36-40)59(47-24-8-10-28-53(47)62-54)46-23-7-4-19-41(46)43-22-12-15-37-16-13-25-48(59)57(37)43;2*1-3-17-36(18-4-1)54(38-29-31-49-43(33-38)41-22-8-11-27-48(41)55(49)37-19-5-2-6-20-37)39-30-32-51-47(34-39)53(45-25-10-12-28-50(45)56-51)44-24-9-7-21-40(44)42-23-13-15-35-16-14-26-46(53)52(35)42/h1-36H;2*1-34H
InChIKeyCLQYKPVFXLQKFA-UHFFFAOYSA-N
MW2250.75 g/mol
LogP43.99
Rot. Bonds12

About 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine)

9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine) (PubChem CID 164965781) has the molecular formula C165H104N6O3S and a molecular weight of 2250.75 g/mol. Its IUPAC name is 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine).

Molecular Properties

Compound Name9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine)
PubChem CID164965781
Molecular FormulaC165H104N6O3S
Molecular Weight2250.75 g/mol
Exact Mass2248.79
IUPAC Name9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine)
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)c2ccccc2n3-c2cccc3sc4ccccc4c23)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C59H36N2OS.2C53H34N2O/c1-2-17-38(18-3-1)60(39-31-33-51-45(35-39)42-20-5-9-26-50(42)61(51)52-27-14-30-56-58(52)44-21-6-11-29-55(44)63-56)40-32-34-54-49(36-40)59(47-24-8-10-28-53(47)62-54)46-23-7-4-19-41(46)43-22-12-15-37-16-13-25-48(59)57(37)43;2*1-3-17-36(18-4-1)54(38-29-31-49-43(33-38)41-22-8-11-27-48(41)55(49)37-19-5-2-6-20-37)39-30-32-51-47(34-39)53(45-25-10-12-28-50(45)56-51)44-24-9-7-21-40(44)42-23-13-15-35-16-14-26-46(53)52(35)42/h1-36H;2*1-34H
InChIKeyCLQYKPVFXLQKFA-UHFFFAOYSA-N
XLogP43.99
TPSA52.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms175
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002250.75
LogP ≤ 543.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine) with MolForge

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Related Compounds

9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794224
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
9-naphthalen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794927
9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine
CID 164794544
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]-9-ylcarbazol-3-amine
CID 164794351
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794710
9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;N-dibenzothiophen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine;N-dibenzothiophen-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-2-amine
CID 165005039
9-dibenzothiophen-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine
CID 164794727
N-dibenzothiophen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 164794408
9-(2,6-diphenylphenyl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794017
9-dibenzothiophen-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164794838

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine)?
The IUPAC name of 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine) (CID 164965781) is 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine).
What is the SMILES notation for 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine)?
The canonical SMILES for 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine) is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)c2ccccc2n3-c2cccc3sc4ccccc4c23)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3cccc4cccc2c34)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine)?
The InChIKey is CLQYKPVFXLQKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2OS.2C53H34N2O/c1-2-17-38(18-3-1)60(39-31-33-51-45(35-39)42-20-5-9-26-50(42)61(51)52-27-14-30-56-58(52)44-21-6-11-29-55(44)63-56)40-32-34-54-49(36-40)59(47-24-8-10-28-53(47)62-54)46-23-7-4-19-41(46)43-22-12-15-37-16-13-25-48(59)57(37)43;2*1-3-17-36(18-4-1)54(38-29-31-49-43(33-38)41-22-8-11-27-48(41)55(49)37-19-5-2-6-20-37)39-30-32-51-47(34-39)53(45-25-10-12-28-50(45)56-51)44-24-9-7-21-40(44)42-23-13-15-35-16-14-26-46(53)52(35)42/h1-36H;2*1-34H.
What are the key properties of 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine)?
9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine) has a molecular weight of 2250.75 g/mol, XLogP of 43.99, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine;bis(N,9-diphenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine) is sourced from PubChem (CID 164965781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).