1-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,7-N,7-N-tetraphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-1,3,7-triamine

C67H47N3OS — CID 155484219

IUPAC1-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,7-N,7-N-tetraphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-1,3,7-triamine
SMILESC1=CCC(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc3oc4cc(N(c5ccccc5)c5ccccc5)ccc4c23)C=C1
InChIInChI=1S/C67H47N3OS/c1-6-23-46(24-7-1)68(47-25-8-2-9-26-47)51-41-42-54-61(44-51)71-62-45-52(43-60(66(54)62)69(48-27-10-3-11-28-48)49-29-12-4-13-30-49)70(50-31-14-5-15-32-50)59-38-22-37-58-65(59)53-33-16-17-34-55(53)67(58)56-35-18-20-39-63(56)72-64-40-21-19-36-57(64)67/h1-29,31-45,49H,30H2
InChIKeySYBDAVPLZXOIHY-UHFFFAOYSA-N
MW942.20 g/mol
LogP18.38
Rot. Bonds9

About 1-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,7-N,7-N-tetraphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-1,3,7-triamine

1-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,7-N,7-N-tetraphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-1,3,7-triamine (PubChem CID 155484219) has the molecular formula C67H47N3OS and a molecular weight of 942.20 g/mol. Its IUPAC name is 1-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,7-N,7-N-tetraphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-1,3,7-triamine.

Molecular Properties

Compound Name1-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,7-N,7-N-tetraphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-1,3,7-triamine
PubChem CID155484219
Molecular FormulaC67H47N3OS
Molecular Weight942.20 g/mol
Exact Mass941.34
IUPAC Name1-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,7-N,7-N-tetraphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-1,3,7-triamine
SMILESC1=CCC(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc3oc4cc(N(c5ccccc5)c5ccccc5)ccc4c23)C=C1
InChIInChI=1S/C67H47N3OS/c1-6-23-46(24-7-1)68(47-25-8-2-9-26-47)51-41-42-54-61(44-51)71-62-45-52(43-60(66(54)62)69(48-27-10-3-11-28-48)49-29-12-4-13-30-49)70(50-31-14-5-15-32-50)59-38-22-37-58-65(59)53-33-16-17-34-55(53)67(58)56-35-18-20-39-63(56)72-64-40-21-19-36-57(64)67/h1-29,31-45,49H,30H2
InChIKeySYBDAVPLZXOIHY-UHFFFAOYSA-N
XLogP18.38
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.20
LogP ≤ 518.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,7-N,7-N-tetraphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-1,3,7-triamine with MolForge

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Related Compounds

7-N,9-N,9-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-4-ylnaphtho[1,2-b][1]benzofuran-7,9-diamine
CID 155483185
4-N-cyclohexa-2,4-dien-1-yl-1-N,4-N-diphenyl-1-N-spiro[fluorene-9,9'-thioxanthene]-2'-yldibenzothiophene-1,4-diamine
CID 166958569
2-N-dibenzofuran-3-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-2-ylbenzene-1,2-diamine
CID 166960062
3-fluoro-1-N,1-N,7-N-triphenyl-7-N-spiro[fluorene-9,9'-thioxanthene]-3'-yldibenzofuran-1,7-diamine
CID 155483192
N-(4-dibenzofuran-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476806
3-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-N-phenyl-3-N-(4-phenylphenyl)-6-N-spiro[fluorene-9,9'-thioxanthene]-4'-yldibenzofuran-3,6-diamine
CID 166958546
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138477289
N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 156524645
N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine
CID 139352149
N-dibenzothiophen-3-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-3-amine
CID 160729748
N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 138476092
N-(9,9-diphenylthioxanthen-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine
CID 166844473

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,7-N,7-N-tetraphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-1,3,7-triamine?
The IUPAC name of 1-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,7-N,7-N-tetraphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-1,3,7-triamine (CID 155484219) is 1-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,7-N,7-N-tetraphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-1,3,7-triamine.
What is the SMILES notation for 1-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,7-N,7-N-tetraphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-1,3,7-triamine?
The canonical SMILES for 1-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,7-N,7-N-tetraphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-1,3,7-triamine is C1=CCC(N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4Sc4ccccc43)cc3oc4cc(N(c5ccccc5)c5ccccc5)ccc4c23)C=C1.
What is the InChIKey of 1-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,7-N,7-N-tetraphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-1,3,7-triamine?
The InChIKey is SYBDAVPLZXOIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47N3OS/c1-6-23-46(24-7-1)68(47-25-8-2-9-26-47)51-41-42-54-61(44-51)71-62-45-52(43-60(66(54)62)69(48-27-10-3-11-28-48)49-29-12-4-13-30-49)70(50-31-14-5-15-32-50)59-38-22-37-58-65(59)53-33-16-17-34-55(53)67(58)56-35-18-20-39-63(56)72-64-40-21-19-36-57(64)67/h1-29,31-45,49H,30H2.
What are the key properties of 1-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,7-N,7-N-tetraphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-1,3,7-triamine?
1-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,7-N,7-N-tetraphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-1,3,7-triamine has a molecular weight of 942.20 g/mol, XLogP of 18.38, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexa-2,4-dien-1-yl-1-N,3-N,7-N,7-N-tetraphenyl-3-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-1,3,7-triamine is sourced from PubChem (CID 155484219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).