N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine

C55H35NO3 — CID 138582677

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine
SMILESC1=CC2=C(CC1)C1(c3ccccc3-c3ccccc31)c1ccc3c(c12)Oc1cccc(N(c2ccccc2)c2ccc(-c4ccc5c(c4)oc4ccccc45)cc2)c1O3
InChIInChI=1S/C55H35NO3/c1-2-13-36(14-3-1)56(37-28-25-34(26-29-37)35-27-30-41-40-17-7-11-23-48(40)57-51(41)33-35)47-22-12-24-49-53(47)58-50-32-31-46-52(54(50)59-49)42-18-6-10-21-45(42)55(46)43-19-8-4-15-38(43)39-16-5-9-20-44(39)55/h1-9,11-20,22-33H,10,21H2
InChIKeyJBTGXADGXHKKAY-UHFFFAOYSA-N
MW757.89 g/mol
LogP15.05
Rot. Bonds4

About N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine

N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine (PubChem CID 138582677) has the molecular formula C55H35NO3 and a molecular weight of 757.89 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine
PubChem CID138582677
Molecular FormulaC55H35NO3
Molecular Weight757.89 g/mol
Exact Mass757.26
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine
SMILESC1=CC2=C(CC1)C1(c3ccccc3-c3ccccc31)c1ccc3c(c12)Oc1cccc(N(c2ccccc2)c2ccc(-c4ccc5c(c4)oc4ccccc45)cc2)c1O3
InChIInChI=1S/C55H35NO3/c1-2-13-36(14-3-1)56(37-28-25-34(26-29-37)35-27-30-41-40-17-7-11-23-48(40)57-51(41)33-35)47-22-12-24-49-53(47)58-50-32-31-46-52(54(50)59-49)42-18-6-10-21-45(42)55(46)43-19-8-4-15-38(43)39-16-5-9-20-44(39)55/h1-9,11-20,22-33H,10,21H2
InChIKeyJBTGXADGXHKKAY-UHFFFAOYSA-N
XLogP15.05
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.89
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[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 163919573
N-cyclohexa-1,5-dien-1-yl-N-(4-dibenzofuran-3-ylphenyl)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 138581681
N-(3-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167176749
N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline
CID 138582958
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
2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 122537211
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine
CID 138581502
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-2-amine
CID 130263998
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 158324524
N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine
CID 135229888
N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753
N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
CID 138582682

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine (CID 138582677) is N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine is C1=CC2=C(CC1)C1(c3ccccc3-c3ccccc31)c1ccc3c(c12)Oc1cccc(N(c2ccccc2)c2ccc(-c4ccc5c(c4)oc4ccccc45)cc2)c1O3.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine?
The InChIKey is JBTGXADGXHKKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO3/c1-2-13-36(14-3-1)56(37-28-25-34(26-29-37)35-27-30-41-40-17-7-11-23-48(40)57-51(41)33-35)47-22-12-24-49-53(47)58-50-32-31-46-52(54(50)59-49)42-18-6-10-21-45(42)55(46)43-19-8-4-15-38(43)39-16-5-9-20-44(39)55/h1-9,11-20,22-33H,10,21H2.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine?
N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine has a molecular weight of 757.89 g/mol, XLogP of 15.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine is sourced from PubChem (CID 138582677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).