2',7'-dicyclohexyl-N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine

C80H63NOS — CID 174279329

IUPAC2',7'-dicyclohexyl-N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)C3(c5cc(C6CCCCC6)ccc5Oc5ccc(C6CCCCC6)cc53)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C80H63NOS/c1-4-20-52(21-5-1)55-36-38-56(39-37-55)61-26-12-17-33-74(61)81(59-42-44-64-62-27-10-13-29-66(62)79(70(64)50-59)68-31-15-18-34-77(68)83-78-35-19-16-32-69(78)79)60-43-45-65-63-28-11-14-30-67(63)80(71(65)51-60)72-48-57(53-22-6-2-7-23-53)40-46-75(72)82-76-47-41-58(49-73(76)80)54-24-8-3-9-25-54/h1,4-5,10-21,26-51,53-54H,2-3,6-9,22-25H2
InChIKeyQKNNTDFNKZLITR-UHFFFAOYSA-N
MW1086.46 g/mol
LogP21.88
Rot. Bonds7

About 2',7'-dicyclohexyl-N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine

2',7'-dicyclohexyl-N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 174279329) has the molecular formula C80H63NOS and a molecular weight of 1086.46 g/mol. Its IUPAC name is 2',7'-dicyclohexyl-N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound Name2',7'-dicyclohexyl-N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID174279329
Molecular FormulaC80H63NOS
Molecular Weight1086.46 g/mol
Exact Mass1085.46
IUPAC Name2',7'-dicyclohexyl-N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)C3(c5cc(C6CCCCC6)ccc5Oc5ccc(C6CCCCC6)cc53)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C80H63NOS/c1-4-20-52(21-5-1)55-36-38-56(39-37-55)61-26-12-17-33-74(61)81(59-42-44-64-62-27-10-13-29-66(62)79(70(64)50-59)68-31-15-18-34-77(68)83-78-35-19-16-32-69(78)79)60-43-45-65-63-28-11-14-30-67(63)80(71(65)51-60)72-48-57(53-22-6-2-7-23-53)40-46-75(72)82-76-47-41-58(49-73(76)80)54-24-8-3-9-25-54/h1,4-5,10-21,26-51,53-54H,2-3,6-9,22-25H2
InChIKeyQKNNTDFNKZLITR-UHFFFAOYSA-N
XLogP21.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.46
LogP ≤ 521.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-dicyclohexyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174281097
2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 174286785
2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174278817
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477453
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476002
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477523
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 164707025
N-[2-(4-phenylphenyl)phenyl]-N-spiro[benzo[b]thioxanthene-12,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476524
N-[2-(4-phenylphenyl)phenyl]-N-spiro[benzo[b]thioxanthene-12,9'-fluorene]-2'-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138477675
7-cyclohexyl-9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285409
7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 164970193
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477897

Frequently Asked Questions

What is the IUPAC name of 2',7'-dicyclohexyl-N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of 2',7'-dicyclohexyl-N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine (CID 174279329) is 2',7'-dicyclohexyl-N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for 2',7'-dicyclohexyl-N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for 2',7'-dicyclohexyl-N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)C3(c5cc(C6CCCCC6)ccc5Oc5ccc(C6CCCCC6)cc53)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of 2',7'-dicyclohexyl-N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is QKNNTDFNKZLITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H63NOS/c1-4-20-52(21-5-1)55-36-38-56(39-37-55)61-26-12-17-33-74(61)81(59-42-44-64-62-27-10-13-29-66(62)79(70(64)50-59)68-31-15-18-34-77(68)83-78-35-19-16-32-69(78)79)60-43-45-65-63-28-11-14-30-67(63)80(71(65)51-60)72-48-57(53-22-6-2-7-23-53)40-46-75(72)82-76-47-41-58(49-73(76)80)54-24-8-3-9-25-54/h1,4-5,10-21,26-51,53-54H,2-3,6-9,22-25H2.
What are the key properties of 2',7'-dicyclohexyl-N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?
2',7'-dicyclohexyl-N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 1086.46 g/mol, XLogP of 21.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-dicyclohexyl-N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 174279329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).