N-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine

C58H43NO — CID 170242116

IUPACN-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)C3C=CC4=C(C3)C3(c5cc(-c6ccccc6)ccc5Oc5ccc(-c6ccccc6)cc53)c3ccccc34)cc21
InChIInChI=1S/C58H43NO/c1-57(2)49-24-14-12-22-45(49)47-30-28-43(36-51(47)57)59(42-20-10-5-11-21-42)44-29-31-48-46-23-13-15-25-50(46)58(52(48)37-44)53-34-40(38-16-6-3-7-17-38)26-32-55(53)60-56-33-27-41(35-54(56)58)39-18-8-4-9-19-39/h3-36,44H,37H2,1-2H3
InChIKeyIOGGPKPDTIZBJJ-UHFFFAOYSA-N
MW769.99 g/mol
LogP14.70
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine

N-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine (PubChem CID 170242116) has the molecular formula C58H43NO and a molecular weight of 769.99 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine
PubChem CID170242116
Molecular FormulaC58H43NO
Molecular Weight769.99 g/mol
Exact Mass769.33
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)C3C=CC4=C(C3)C3(c5cc(-c6ccccc6)ccc5Oc5ccc(-c6ccccc6)cc53)c3ccccc34)cc21
InChIInChI=1S/C58H43NO/c1-57(2)49-24-14-12-22-45(49)47-30-28-43(36-51(47)57)59(42-20-10-5-11-21-42)44-29-31-48-46-23-13-15-25-50(46)58(52(48)37-44)53-34-40(38-16-6-3-7-17-38)26-32-55(53)60-56-33-27-41(35-54(56)58)39-18-8-4-9-19-39/h3-36,44H,37H2,1-2H3
InChIKeyIOGGPKPDTIZBJJ-UHFFFAOYSA-N
XLogP14.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.99
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine
CID 146333663
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 174274909
N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240662
4-N-[3-[2'-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-yl]phenyl]-4-N-phenyl-1-N-(4-phenylphenyl)-1-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine
CID 129309143
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)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176597787
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
9,9-dimethyl-2-N,2-N-diphenyl-7-N-(4-phenylcyclohexa-2,4-dien-1-yl)-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 167250657
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174279588
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 174274910

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine (CID 170242116) is N-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)C3C=CC4=C(C3)C3(c5cc(-c6ccccc6)ccc5Oc5ccc(-c6ccccc6)cc53)c3ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine?
The InChIKey is IOGGPKPDTIZBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43NO/c1-57(2)49-24-14-12-22-45(49)47-30-28-43(36-51(47)57)59(42-20-10-5-11-21-42)44-29-31-48-46-23-13-15-25-50(46)58(52(48)37-44)53-34-40(38-16-6-3-7-17-38)26-32-55(53)60-56-33-27-41(35-54(56)58)39-18-8-4-9-19-39/h3-36,44H,37H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine has a molecular weight of 769.99 g/mol, XLogP of 14.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N,2',7'-triphenylspiro[1,2-dihydrofluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 170242116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).