N-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine

C67H42N2O3 — CID 166960071

IUPACN-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3cc(N(c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c4ccc5c(c4)oc4ccccc45)c4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C67H42N2O3/c1-3-19-45(20-4-1)68(46-21-5-2-6-22-46)47-23-17-18-43(38-47)44-39-59(66-54-27-10-15-32-61(54)71-65(66)40-44)69(48-34-36-53-52-26-9-14-31-60(52)70-63(53)41-48)49-35-37-58-64(42-49)72-62-33-16-13-30-57(62)67(58)55-28-11-7-24-50(55)51-25-8-12-29-56(51)67/h1-42H
InChIKeyYDASHUDOVZWFRP-UHFFFAOYSA-N
MW923.08 g/mol
LogP18.56
Rot. Bonds7

About N-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine

N-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine (PubChem CID 166960071) has the molecular formula C67H42N2O3 and a molecular weight of 923.08 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine
PubChem CID166960071
Molecular FormulaC67H42N2O3
Molecular Weight923.08 g/mol
Exact Mass922.32
IUPAC NameN-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3cc(N(c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c4ccc5c(c4)oc4ccccc45)c4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C67H42N2O3/c1-3-19-45(20-4-1)68(46-21-5-2-6-22-46)47-23-17-18-43(38-47)44-39-59(66-54-27-10-15-32-61(54)71-65(66)40-44)69(48-34-36-53-52-26-9-14-31-60(52)70-63(53)41-48)49-35-37-58-64(42-49)72-62-33-16-13-30-57(62)67(58)55-28-11-7-24-50(55)51-25-8-12-29-56(51)67/h1-42H
InChIKeyYDASHUDOVZWFRP-UHFFFAOYSA-N
XLogP18.56
TPSA41.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.08
LogP ≤ 518.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
CID 167176662
N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine
CID 174232918
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[3,2-b][1]benzofuran-11,9'-xanthene]-1-amine
CID 162771436
4-N-dibenzofuran-1-yl-1-N,1-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2-ylbenzene-1,4-diamine
CID 166959985
N-phenyl-N-(4-phenylphenyl)-3-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-6-ylaniline
CID 162771490
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine;N-phenyl-N-(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-4-amine
CID 163790193
N-dibenzofuran-3-yl-N-phenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]-4-amine
CID 162771468
N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476993
1-N,7-N,7-N-triphenyl-1-N-spiro[benzo[b]xanthene-12,9'-fluorene]-2'-yldibenzofuran-1,7-diamine
CID 155483351
N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794801
N-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine
CID 170272549
N-(4-dibenzofuran-3-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-xanthene]-4-yl-N-triphenylen-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 160969279

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine (CID 166960071) is N-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine is c1ccc(N(c2ccccc2)c2cccc(-c3cc(N(c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c4ccc5c(c4)oc4ccccc45)c4c(c3)oc3ccccc34)c2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine?
The InChIKey is YDASHUDOVZWFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2O3/c1-3-19-45(20-4-1)68(46-21-5-2-6-22-46)47-23-17-18-43(38-47)44-39-59(66-54-27-10-15-32-61(54)71-65(66)40-44)69(48-34-36-53-52-26-9-14-31-60(52)70-63(53)41-48)49-35-37-58-64(42-49)72-62-33-16-13-30-57(62)67(58)55-28-11-7-24-50(55)51-25-8-12-29-56(51)67/h1-42H.
What are the key properties of N-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine?
N-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine has a molecular weight of 923.08 g/mol, XLogP of 18.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-[3-[3-(N-phenylanilino)phenyl]dibenzofuran-1-yl]spiro[fluorene-9,9'-xanthene]-3'-amine is sourced from PubChem (CID 166960071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).