N-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine

C68H47NOSi — CID 152880962

IUPACN-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C68H47NOSi/c1-6-24-48(25-7-1)67(49-26-8-2-9-27-49)57-35-17-16-34-55(57)56-44-42-51(46-62(56)67)69(50-28-10-3-11-29-50)52-43-45-61-66(47-52)71(53-30-12-4-13-31-53,54-32-14-5-15-33-54)65-41-23-20-38-60(65)68(61)58-36-18-21-39-63(58)70-64-40-22-19-37-59(64)68/h1-47H
InChIKeyUBJLMKGRVSJIBI-UHFFFAOYSA-N
MW922.22 g/mol
LogP13.70
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine

N-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine (PubChem CID 152880962) has the molecular formula C68H47NOSi and a molecular weight of 922.22 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine
PubChem CID152880962
Molecular FormulaC68H47NOSi
Molecular Weight922.22 g/mol
Exact Mass921.34
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2C32c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C68H47NOSi/c1-6-24-48(25-7-1)67(49-26-8-2-9-27-49)57-35-17-16-34-55(57)56-44-42-51(46-62(56)67)69(50-28-10-3-11-29-50)52-43-45-61-66(47-52)71(53-30-12-4-13-31-53,54-32-14-5-15-33-54)65-41-23-20-38-60(65)68(61)58-36-18-21-39-63(58)70-64-40-22-19-37-59(64)68/h1-47H
InChIKeyUBJLMKGRVSJIBI-UHFFFAOYSA-N
XLogP13.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.22
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477449
N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
CID 166679205
N,5,5-triphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine
CID 147646246
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947
N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240655
N-naphthalen-1-yl-5,5-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1]benzosiline-10,9'-xanthene]-2'-amine
CID 148623158
N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 166679392
N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476077
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
CID 90154251
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
CID 166012551
CID 166012551

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine (CID 152880962) is N-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine is c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2C32c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine?
The InChIKey is UBJLMKGRVSJIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47NOSi/c1-6-24-48(25-7-1)67(49-26-8-2-9-27-49)57-35-17-16-34-55(57)56-44-42-51(46-62(56)67)69(50-28-10-3-11-29-50)52-43-45-61-66(47-52)71(53-30-12-4-13-31-53,54-32-14-5-15-33-54)65-41-23-20-38-60(65)68(61)58-36-18-21-39-63(58)70-64-40-22-19-37-59(64)68/h1-47H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine?
N-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine has a molecular weight of 922.22 g/mol, XLogP of 13.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine is sourced from PubChem (CID 152880962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).