N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine

C61H39NO2 — CID 138581592

IUPACN-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3-c3ccccc3)c3cccc4c3Oc3c(ccc5c3-c3ccccc3C53c5ccccc5-c5ccccc53)O4)c2)cc1
InChIInChI=1S/C61H39NO2/c1-4-19-40(20-5-1)43-37-44(41-21-6-2-7-22-41)39-45(38-43)62(54-32-17-13-25-46(54)42-23-8-3-9-24-42)55-33-18-34-56-59(55)64-60-57(63-56)36-35-53-58(60)49-28-12-16-31-52(49)61(53)50-29-14-10-26-47(50)48-27-11-15-30-51(48)61/h1-39H
InChIKeyXFPIVBHPKDCEFS-UHFFFAOYSA-N
MW817.99 g/mol
LogP16.40
Rot. Bonds6

About N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine

N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine (PubChem CID 138581592) has the molecular formula C61H39NO2 and a molecular weight of 817.99 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
PubChem CID138581592
Molecular FormulaC61H39NO2
Molecular Weight817.99 g/mol
Exact Mass817.30
IUPAC NameN-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3-c3ccccc3)c3cccc4c3Oc3c(ccc5c3-c3ccccc3C53c5ccccc5-c5ccccc53)O4)c2)cc1
InChIInChI=1S/C61H39NO2/c1-4-19-40(20-5-1)43-37-44(41-21-6-2-7-22-41)39-45(38-43)62(54-32-17-13-25-46(54)42-23-8-3-9-24-42)55-33-18-34-56-59(55)64-60-57(63-56)36-35-53-58(60)49-28-12-16-31-52(49)61(53)50-29-14-10-26-47(50)48-27-11-15-30-51(48)61/h1-39H
InChIKeyXFPIVBHPKDCEFS-UHFFFAOYSA-N
XLogP16.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.99
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
CID 138581589
N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)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]-16-amine
CID 138582582
N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline
CID 138582355
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
CID 138581435
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 138477297
N-phenyl-N-[2-(4-phenylphenyl)phenyl]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]-19-amine
CID 138582255
N-(3-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138477700
N-[4-(4-phenylphenyl)phenyl]-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138477697
2-phenyl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477572
N-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
CID 138581462
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine
CID 129309035
N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477575

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine (CID 138581592) is N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3-c3ccccc3)c3cccc4c3Oc3c(ccc5c3-c3ccccc3C53c5ccccc5-c5ccccc53)O4)c2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine?
The InChIKey is XFPIVBHPKDCEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NO2/c1-4-19-40(20-5-1)43-37-44(41-21-6-2-7-22-41)39-45(38-43)62(54-32-17-13-25-46(54)42-23-8-3-9-24-42)55-33-18-34-56-59(55)64-60-57(63-56)36-35-53-58(60)49-28-12-16-31-52(49)61(53)50-29-14-10-26-47(50)48-27-11-15-30-51(48)61/h1-39H.
What are the key properties of N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine?
N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine has a molecular weight of 817.99 g/mol, XLogP of 16.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine is sourced from PubChem (CID 138581592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).