2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

C61H41NO — CID 170240643

IUPAC2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5cc(-c6ccccc6)c(-c6ccccc6)cc53)c3ccccc3-4)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C61H41NO/c1-5-19-42(20-6-1)43-33-35-47(36-34-43)62(58-31-17-14-27-49(58)44-21-7-2-8-22-44)48-37-38-51-50-28-13-15-29-54(50)61(56(51)39-48)55-30-16-18-32-59(55)63-60-41-53(46-25-11-4-12-26-46)52(40-57(60)61)45-23-9-3-10-24-45/h1-41H
InChIKeyRGKKROUKPOCXEM-UHFFFAOYSA-N
MW804.01 g/mol
LogP16.29
Rot. Bonds7

About 2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 170240643) has the molecular formula C61H41NO and a molecular weight of 804.01 g/mol. Its IUPAC name is 2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound Name2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID170240643
Molecular FormulaC61H41NO
Molecular Weight804.01 g/mol
Exact Mass803.32
IUPAC Name2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5cc(-c6ccccc6)c(-c6ccccc6)cc53)c3ccccc3-4)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C61H41NO/c1-5-19-42(20-6-1)43-33-35-47(36-34-43)62(58-31-17-14-27-49(58)44-21-7-2-8-22-44)48-37-38-51-50-28-13-15-29-54(50)61(56(51)39-48)55-30-16-18-32-59(55)63-60-41-53(46-25-11-4-12-26-46)52(40-57(60)61)45-23-9-3-10-24-45/h1-41H
InChIKeyRGKKROUKPOCXEM-UHFFFAOYSA-N
XLogP16.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477897
N-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240652
N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477446
N,N-bis(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine;methane;N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 157220959
N-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 167177160
N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477499
2-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 90154256
9,9-diphenyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)fluoren-2-amine
CID 174295753
N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240505
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240655
N-naphthalen-2-yl-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240516

Frequently Asked Questions

What is the IUPAC name of 2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of 2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 170240643) is 2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for 2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for 2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5cc(-c6ccccc6)c(-c6ccccc6)cc53)c3ccccc3-4)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is RGKKROUKPOCXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO/c1-5-19-42(20-6-1)43-33-35-47(36-34-43)62(58-31-17-14-27-49(58)44-21-7-2-8-22-44)48-37-38-51-50-28-13-15-29-54(50)61(56(51)39-48)55-30-16-18-32-59(55)63-60-41-53(46-25-11-4-12-26-46)52(40-57(60)61)45-23-9-3-10-24-45/h1-41H.
What are the key properties of 2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 804.01 g/mol, XLogP of 16.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 170240643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).