9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine

C58H41NO — CID 146333663

IUPAC9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4C4(c6ccccc6Oc6ccc(-c7ccccc7)cc64)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C58H41NO/c1-57(2)49-24-11-9-20-45(49)47-34-33-43(37-52(47)57)59(41-18-7-4-8-19-41)42-31-28-39(29-32-42)44-22-15-23-48-46-21-10-12-25-50(46)58(56(44)48)51-26-13-14-27-54(51)60-55-35-30-40(36-53(55)58)38-16-5-3-6-17-38/h3-37H,1-2H3
InChIKeyDRARMGVAECOTEH-UHFFFAOYSA-N
MW767.97 g/mol
LogP15.27
Rot. Bonds5

About 9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine (PubChem CID 146333663) has the molecular formula C58H41NO and a molecular weight of 767.97 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine
PubChem CID146333663
Molecular FormulaC58H41NO
Molecular Weight767.97 g/mol
Exact Mass767.32
IUPAC Name9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4C4(c6ccccc6Oc6ccc(-c7ccccc7)cc64)c4ccccc4-5)cc3)cc21
InChIInChI=1S/C58H41NO/c1-57(2)49-24-11-9-20-45(49)47-34-33-43(37-52(47)57)59(41-18-7-4-8-19-41)42-31-28-39(29-32-42)44-22-15-23-48-46-21-10-12-25-50(46)58(56(44)48)51-26-13-14-27-54(51)60-55-35-30-40(36-53(55)58)38-16-5-3-6-17-38/h3-37H,1-2H3
InChIKeyDRARMGVAECOTEH-UHFFFAOYSA-N
XLogP15.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.97
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)fluoren-2-amine
CID 146333571
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]fluoren-2-amine
CID 155280447
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476302
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)fluoren-2-amine
CID 174274909
N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 167232104
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
4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine
CID 158594028
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-1-amine
CID 146333673
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
N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240662
2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline
CID 167177854
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine (CID 146333663) is 9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4C4(c6ccccc6Oc6ccc(-c7ccccc7)cc64)c4ccccc4-5)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine?
The InChIKey is DRARMGVAECOTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NO/c1-57(2)49-24-11-9-20-45(49)47-34-33-43(37-52(47)57)59(41-18-7-4-8-19-41)42-31-28-39(29-32-42)44-22-15-23-48-46-21-10-12-25-50(46)58(56(44)48)51-26-13-14-27-54(51)60-55-35-30-40(36-53(55)58)38-16-5-3-6-17-38/h3-37H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine has a molecular weight of 767.97 g/mol, XLogP of 15.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-[4-(2'-phenylspiro[fluorene-9,9'-xanthene]-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 146333663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).