N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine

C63H47NO — CID 118446636

IUPACN-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc31)c1cc3c(cc1-2)C3(C)C
InChIInChI=1S/C63H47NO/c1-60(2,3)38-27-30-46-47-36-56-57(61(56,4)5)37-55(47)63(52(46)33-38)49-22-12-10-20-43(49)45-32-29-41(35-54(45)63)64(39-17-7-6-8-18-39)40-28-31-44-42-19-9-11-21-48(42)62(53(44)34-40)50-23-13-15-25-58(50)65-59-26-16-14-24-51(59)62/h6-37H,1-5H3
InChIKeyAFOSJFBAVAOMAF-UHFFFAOYSA-N
MW834.08 g/mol
LogP15.91
Rot. Bonds3

About N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine

N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 118446636) has the molecular formula C63H47NO and a molecular weight of 834.08 g/mol. Its IUPAC name is N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID118446636
Molecular FormulaC63H47NO
Molecular Weight834.08 g/mol
Exact Mass833.37
IUPAC NameN-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc31)c1cc3c(cc1-2)C3(C)C
InChIInChI=1S/C63H47NO/c1-60(2,3)38-27-30-46-47-36-56-57(61(56,4)5)37-55(47)63(52(46)33-38)49-22-12-10-20-43(49)45-32-29-41(35-54(45)63)64(39-17-7-6-8-18-39)40-28-31-44-42-19-9-11-21-48(42)62(53(44)34-40)50-23-13-15-25-58(50)65-59-26-16-14-24-51(59)62/h6-37H,1-5H3
InChIKeyAFOSJFBAVAOMAF-UHFFFAOYSA-N
XLogP15.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.08
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine with MolForge

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Related Compounds

2',7'-ditert-butyl-N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284182
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174279588
N-(4-tert-butylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90153715
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476546
2',7'-ditert-butyl-N,N-bis(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284062
2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 174281956
2-tert-butyl-N-[3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-10,10-dimethyl-N-phenylspiro[anthracene-9,9'-fluorene]-2'-amine
CID 177067137
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 130271595
N-(2',7'-ditert-butylspiro[fluorene-9,9'-thioxanthene]-2-yl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174285700
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-(2,7-ditert-butylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylxanthen-2-amine
CID 174285355

Frequently Asked Questions

What is the IUPAC name of N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine (CID 118446636) is N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc31)c1cc3c(cc1-2)C3(C)C.
What is the InChIKey of N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is AFOSJFBAVAOMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H47NO/c1-60(2,3)38-27-30-46-47-36-56-57(61(56,4)5)37-55(47)63(52(46)33-38)49-22-12-10-20-43(49)45-32-29-41(35-54(45)63)64(39-17-7-6-8-18-39)40-28-31-44-42-19-9-11-21-48(42)62(53(44)34-40)50-23-13-15-25-58(50)65-59-26-16-14-24-51(59)62/h6-37H,1-5H3.
What are the key properties of N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine?
N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 834.08 g/mol, XLogP of 15.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 118446636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).