N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine

C55H33NS — CID 140962610

IUPACN-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine
SMILESc1ccc(N(c2cc3c(c4ccccc24)-c2c(c4ccccc4c4ccccc24)C32c3ccccc3-c3ccccc32)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C55H33NS/c1-2-17-34(18-3-1)56(48-31-16-28-44-40-24-12-15-32-50(40)57-54(44)48)49-33-47-51(42-26-8-6-23-39(42)49)52-41-25-7-4-19-35(41)36-20-5-9-27-43(36)53(52)55(47)45-29-13-10-21-37(45)38-22-11-14-30-46(38)55/h1-33H
InChIKeyVTEQOOBQIBVXJS-UHFFFAOYSA-N
MW739.94 g/mol
LogP15.33
Rot. Bonds3

About N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine

N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine (PubChem CID 140962610) has the molecular formula C55H33NS and a molecular weight of 739.94 g/mol. Its IUPAC name is N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine
PubChem CID140962610
Molecular FormulaC55H33NS
Molecular Weight739.94 g/mol
Exact Mass739.23
IUPAC NameN-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine
SMILESc1ccc(N(c2cc3c(c4ccccc24)-c2c(c4ccccc4c4ccccc24)C32c3ccccc3-c3ccccc32)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C55H33NS/c1-2-17-34(18-3-1)56(48-31-16-28-44-40-24-12-15-32-50(40)57-54(44)48)49-33-47-51(42-26-8-6-23-39(42)49)52-41-25-7-4-19-35(41)36-20-5-9-27-43(36)53(52)55(47)45-29-13-10-21-37(45)38-22-11-14-30-46(38)55/h1-33H
InChIKeyVTEQOOBQIBVXJS-UHFFFAOYSA-N
XLogP15.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.94
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine with MolForge

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Related Compounds

5-N,22-N-di(dibenzothiophen-4-yl)-5-N,22-N,25,25-tetraphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
CID 121430725
N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenyldibenzothiophen-4-amine
CID 90129132
2-N'-dibenzothiophen-4-yl-2-N,2-N,2-N',3,3'-pentakis-phenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791741
N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzofuran-1-amine
CID 140962533
4-N'-dibenzothiophen-4-yl-4-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775342
2-N',7-N'-di(dibenzothiophen-4-yl)-2-N',7-N'-diphenylspiro[fluorene-9,9'-xanthene]-2',7'-diamine
CID 167178046
4-N-dibenzothiophen-1-yl-2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 167177170
N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]naphtho[1,2-b][1]benzothiol-5-amine
CID 135195862
5-N,17-N-di(dibenzothiophen-4-yl)-25,25-dimethyl-5-N,17-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,17-diamine
CID 121431423
3-N-dibenzothiophen-3-yl-3-N-naphthalen-1-yl-6-N-phenyl-6-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophene-3,6-diamine
CID 167230322
N-(2,5-dimethylphenyl)-N-(4-methylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-amine
CID 137494379
N-(4-cyclohexylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-amine
CID 137494409

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine?
The IUPAC name of N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine (CID 140962610) is N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine.
What is the SMILES notation for N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine?
The canonical SMILES for N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine is c1ccc(N(c2cc3c(c4ccccc24)-c2c(c4ccccc4c4ccccc24)C32c3ccccc3-c3ccccc32)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine?
The InChIKey is VTEQOOBQIBVXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33NS/c1-2-17-34(18-3-1)56(48-31-16-28-44-40-24-12-15-32-50(40)57-54(44)48)49-33-47-51(42-26-8-6-23-39(42)49)52-41-25-7-4-19-35(41)36-20-5-9-27-43(36)53(52)55(47)45-29-13-10-21-37(45)38-22-11-14-30-46(38)55/h1-33H.
What are the key properties of N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine?
N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine has a molecular weight of 739.94 g/mol, XLogP of 15.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-yldibenzothiophen-4-amine is sourced from PubChem (CID 140962610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).