N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine

C67H49NO — CID 121391814

IUPACN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc5-c5ccccc54)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C67H49NO/c1-65(2)54-25-12-10-23-52(54)64-58(65)29-17-30-61(64)68(45-37-38-51-50-22-7-11-24-53(50)66(3,4)59(51)41-45)44-35-32-42(33-36-44)43-34-39-63-60(40-43)67(57-28-15-16-31-62(57)69-63)55-26-13-8-20-48(55)46-18-5-6-19-47(46)49-21-9-14-27-56(49)67/h5-41H,1-4H3
InChIKeyXUJHWYCIHZPBMR-UHFFFAOYSA-N
MW884.14 g/mol
LogP17.57
Rot. Bonds4

About N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine

N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine (PubChem CID 121391814) has the molecular formula C67H49NO and a molecular weight of 884.14 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
PubChem CID121391814
Molecular FormulaC67H49NO
Molecular Weight884.14 g/mol
Exact Mass883.38
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc5-c5ccccc54)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C67H49NO/c1-65(2)54-25-12-10-23-52(54)64-58(65)29-17-30-61(64)68(45-37-38-51-50-22-7-11-24-53(50)66(3,4)59(51)41-45)44-35-32-42(33-36-44)43-34-39-63-60(40-43)67(57-28-15-16-31-62(57)69-63)55-26-13-8-20-48(55)46-18-5-6-19-47(46)49-21-9-14-27-56(49)67/h5-41H,1-4H3
InChIKeyXUJHWYCIHZPBMR-UHFFFAOYSA-N
XLogP17.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.14
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine with MolForge

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine
CID 167177926
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 174274909
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 174274910
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476302
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 158045243
N-(9,9'-spirobi[fluorene]-4-yl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477749
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-amine
CID 138461965
N-(9,9-dimethylfluoren-2-yl)-4'-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258891
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine
CID 146333663
N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 167232104

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine (CID 121391814) is N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc5-c5ccccc54)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine?
The InChIKey is XUJHWYCIHZPBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H49NO/c1-65(2)54-25-12-10-23-52(54)64-58(65)29-17-30-61(64)68(45-37-38-51-50-22-7-11-24-53(50)66(3,4)59(51)41-45)44-35-32-42(33-36-44)43-34-39-63-60(40-43)67(57-28-15-16-31-62(57)69-63)55-26-13-8-20-48(55)46-18-5-6-19-47(46)49-21-9-14-27-56(49)67/h5-41H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine?
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine has a molecular weight of 884.14 g/mol, XLogP of 17.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 121391814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).