N-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine

C68H41NO3 — CID 168799178

IUPACN-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
SMILESc1ccc(-c2cc(N(c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4oc5ccccc5c34)cc3c2Oc2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C68H41NO3/c1-2-20-42(21-3-1)49-40-43(41-57-65(49)71-61-37-16-14-32-55(61)68(57)52-29-11-6-24-46(52)47-25-7-12-30-53(47)68)69(58-34-19-39-63-64(58)48-26-8-15-36-60(48)70-63)59-35-18-33-56-66(59)72-62-38-17-13-31-54(62)67(56)50-27-9-4-22-44(50)45-23-5-10-28-51(45)67/h1-41H
InChIKeyCWONYHSZAVRXDK-UHFFFAOYSA-N
MW920.08 g/mol
LogP17.66
Rot. Bonds4

About N-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine

N-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine (PubChem CID 168799178) has the molecular formula C68H41NO3 and a molecular weight of 920.08 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
PubChem CID168799178
Molecular FormulaC68H41NO3
Molecular Weight920.08 g/mol
Exact Mass919.31
IUPAC NameN-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
SMILESc1ccc(-c2cc(N(c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4oc5ccccc5c34)cc3c2Oc2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C68H41NO3/c1-2-20-42(21-3-1)49-40-43(41-57-65(49)71-61-37-16-14-32-55(61)68(57)52-29-11-6-24-46(52)47-25-7-12-30-53(47)68)69(58-34-19-39-63-64(58)48-26-8-15-36-60(48)70-63)59-35-18-33-56-66(59)72-62-38-17-13-31-54(62)67(56)50-27-9-4-22-44(50)45-23-5-10-28-51(45)67/h1-41H
InChIKeyCWONYHSZAVRXDK-UHFFFAOYSA-N
XLogP17.66
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.08
LogP ≤ 517.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 169315784
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476859
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-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476554
N-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-amine
CID 167176973
N-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-amine
CID 167277352
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
N-dibenzofuran-1-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130465181
N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717052
N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717049
N-(3-phenylphenyl)-N-(3-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-ylphenyl)dibenzofuran-1-amine
CID 138582622

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The IUPAC name of N-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine (CID 168799178) is N-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The canonical SMILES for N-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine is c1ccc(-c2cc(N(c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)c3cccc4oc5ccccc5c34)cc3c2Oc2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The InChIKey is CWONYHSZAVRXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41NO3/c1-2-20-42(21-3-1)49-40-43(41-57-65(49)71-61-37-16-14-32-55(61)68(57)52-29-11-6-24-46(52)47-25-7-12-30-53(47)68)69(58-34-19-39-63-64(58)48-26-8-15-36-60(48)70-63)59-35-18-33-56-66(59)72-62-38-17-13-31-54(62)67(56)50-27-9-4-22-44(50)45-23-5-10-28-51(45)67/h1-41H.
What are the key properties of N-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
N-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine has a molecular weight of 920.08 g/mol, XLogP of 17.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine is sourced from PubChem (CID 168799178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).