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

C68H43NO2 — CID 138477897

IUPACN-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C68H43NO2/c1-2-18-44(19-3-1)45-34-36-46(37-35-45)49-20-7-14-30-62(49)69(47-38-40-53-52-23-6-10-26-56(52)68(61(53)42-47)58-28-12-15-31-63(58)70-64-32-16-13-29-59(64)68)48-39-41-60-66(43-48)71-65-33-17-11-27-57(65)67(60)54-24-8-4-21-50(54)51-22-5-9-25-55(51)67/h1-43H
InChIKeyBKGHPAUPHFXANZ-UHFFFAOYSA-N
MW906.10 g/mol
LogP17.43
Rot. Bonds5

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

N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 138477897) has the molecular formula C68H43NO2 and a molecular weight of 906.10 g/mol. Its IUPAC name is N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID138477897
Molecular FormulaC68H43NO2
Molecular Weight906.10 g/mol
Exact Mass905.33
IUPAC NameN-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C68H43NO2/c1-2-18-44(19-3-1)45-34-36-46(37-35-45)49-20-7-14-30-62(49)69(47-38-40-53-52-23-6-10-26-56(52)68(61(53)42-47)58-28-12-15-31-63(58)70-64-32-16-13-29-59(64)68)48-39-41-60-66(43-48)71-65-33-17-11-27-57(65)67(60)54-24-8-4-21-50(54)51-22-5-9-25-55(51)67/h1-43H
InChIKeyBKGHPAUPHFXANZ-UHFFFAOYSA-N
XLogP17.43
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.10
LogP ≤ 517.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240643
N-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 167177160
N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240505
N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477499
N-naphthalen-2-yl-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240516
N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476600
N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
CID 138476453
9,9-diphenyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)fluoren-2-amine
CID 174295753
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
2-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 90154256

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine (CID 138477897) is N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is BKGHPAUPHFXANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NO2/c1-2-18-44(19-3-1)45-34-36-46(37-35-45)49-20-7-14-30-62(49)69(47-38-40-53-52-23-6-10-26-56(52)68(61(53)42-47)58-28-12-15-31-63(58)70-64-32-16-13-29-59(64)68)48-39-41-60-66(43-48)71-65-33-17-11-27-57(65)67(60)54-24-8-4-21-50(54)51-22-5-9-25-55(51)67/h1-43H.
What are the key properties of N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine?
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 906.10 g/mol, XLogP of 17.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 138477897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).