2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine

C68H57NO2 — CID 174279417

IUPAC2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESC1=CCC2C(=C1)c1ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5cc(C6CCCCC6)ccc5Oc5ccc(C6CCCCC6)cc53)c3ccccc3-4)cc1C21c2ccccc2Oc2ccccc21
InChIInChI=1S/C68H57NO2/c1-4-18-44(19-5-1)46-32-38-65-61(40-46)68(62-41-47(33-39-66(62)71-65)45-20-6-2-7-21-45)56-27-13-11-25-52(56)54-37-35-50(43-60(54)68)69(48-22-8-3-9-23-48)49-34-36-53-51-24-10-12-26-55(51)67(59(53)42-49)57-28-14-16-30-63(57)70-64-31-17-15-29-58(64)67/h3,8-17,22-25,27-45,55H,1-2,4-7,18-21,26H2
InChIKeyLATMHMRPQITJLX-UHFFFAOYSA-N
MW920.21 g/mol
LogP18.13
Rot. Bonds5

About 2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine

2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 174279417) has the molecular formula C68H57NO2 and a molecular weight of 920.21 g/mol. Its IUPAC name is 2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound Name2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID174279417
Molecular FormulaC68H57NO2
Molecular Weight920.21 g/mol
Exact Mass919.44
IUPAC Name2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESC1=CCC2C(=C1)c1ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5cc(C6CCCCC6)ccc5Oc5ccc(C6CCCCC6)cc53)c3ccccc3-4)cc1C21c2ccccc2Oc2ccccc21
InChIInChI=1S/C68H57NO2/c1-4-18-44(19-5-1)46-32-38-65-61(40-46)68(62-41-47(33-39-66(62)71-65)45-20-6-2-7-21-45)56-27-13-11-25-52(56)54-37-35-50(43-60(54)68)69(48-22-8-3-9-23-48)49-34-36-53-51-24-10-12-26-55(51)67(59(53)42-49)57-28-14-16-30-63(57)70-64-31-17-15-29-58(64)67/h3,8-17,22-25,27-45,55H,1-2,4-7,18-21,26H2
InChIKeyLATMHMRPQITJLX-UHFFFAOYSA-N
XLogP18.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.21
LogP ≤ 518.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174278817
2,7-dicyclohexyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174281097
N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 174291586
N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174291479
2',7'-dicyclohexyl-N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 174279329
2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine
CID 139568403
2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenylspiro[fluorene-9,9'-xanthene]-2,2',7,7'-tetramine
CID 132604176
7-cyclohexyl-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 165040410
2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 174286785
N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine
CID 166021013
N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 176611605
N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240662

Frequently Asked Questions

What is the IUPAC name of 2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of 2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine (CID 174279417) is 2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for 2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for 2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine is C1=CCC2C(=C1)c1ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5cc(C6CCCCC6)ccc5Oc5ccc(C6CCCCC6)cc53)c3ccccc3-4)cc1C21c2ccccc2Oc2ccccc21.
What is the InChIKey of 2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is LATMHMRPQITJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H57NO2/c1-4-18-44(19-5-1)46-32-38-65-61(40-46)68(62-41-47(33-39-66(62)71-65)45-20-6-2-7-21-45)56-27-13-11-25-52(56)54-37-35-50(43-60(54)68)69(48-22-8-3-9-23-48)49-34-36-53-51-24-10-12-26-55(51)67(59(53)42-49)57-28-14-16-30-63(57)70-64-31-17-15-29-58(64)67/h3,8-17,22-25,27-45,55H,1-2,4-7,18-21,26H2.
What are the key properties of 2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?
2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 920.21 g/mol, XLogP of 18.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 174279417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).