N-(4-dibenzofuran-4-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]-19-amine

C55H33NO3 — CID 138582786

IUPACN-(4-dibenzofuran-4-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]-19-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cccc3c2Oc2cc4c(cc2O3)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc1
InChIInChI=1S/C55H33NO3/c1-2-14-35(15-3-1)56(36-30-28-34(29-31-36)37-20-12-21-42-41-19-7-11-26-49(41)58-53(37)42)48-25-13-27-50-54(48)59-51-32-43-40-18-6-10-24-46(40)55(47(43)33-52(51)57-50)44-22-8-4-16-38(44)39-17-5-9-23-45(39)55/h1-33H
InChIKeySMZDSFLVEXUVMR-UHFFFAOYSA-N
MW755.87 g/mol
LogP14.96
Rot. Bonds4

About N-(4-dibenzofuran-4-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]-19-amine

N-(4-dibenzofuran-4-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]-19-amine (PubChem CID 138582786) has the molecular formula C55H33NO3 and a molecular weight of 755.87 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-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]-19-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-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]-19-amine
PubChem CID138582786
Molecular FormulaC55H33NO3
Molecular Weight755.87 g/mol
Exact Mass755.25
IUPAC NameN-(4-dibenzofuran-4-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]-19-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cccc3c2Oc2cc4c(cc2O3)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc1
InChIInChI=1S/C55H33NO3/c1-2-14-35(15-3-1)56(36-30-28-34(29-31-36)37-20-12-21-42-41-19-7-11-26-49(41)58-53(37)42)48-25-13-27-50-54(48)59-51-32-43-40-18-6-10-24-46(40)55(47(43)33-52(51)57-50)44-22-8-4-16-38(44)39-17-5-9-23-45(39)55/h1-33H
InChIKeySMZDSFLVEXUVMR-UHFFFAOYSA-N
XLogP14.96
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.87
LogP ≤ 514.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-dibenzofuran-4-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]-19-amine with MolForge

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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-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-1-amine
CID 138477714
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 160841944
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475955
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-(4-dibenzofuran-4-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476214
N-phenyl-N-[2-(2-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 138582243
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
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421380
N-dibenzofuran-4-yl-N-(4-dibenzofuran-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176643
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

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-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]-19-amine?
The IUPAC name of N-(4-dibenzofuran-4-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]-19-amine (CID 138582786) is N-(4-dibenzofuran-4-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]-19-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-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]-19-amine?
The canonical SMILES for N-(4-dibenzofuran-4-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]-19-amine is c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cccc3c2Oc2cc4c(cc2O3)C2(c3ccccc3-c3ccccc32)c2ccccc2-4)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-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]-19-amine?
The InChIKey is SMZDSFLVEXUVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33NO3/c1-2-14-35(15-3-1)56(36-30-28-34(29-31-36)37-20-12-21-42-41-19-7-11-26-49(41)58-53(37)42)48-25-13-27-50-54(48)59-51-32-43-40-18-6-10-24-46(40)55(47(43)33-52(51)57-50)44-22-8-4-16-38(44)39-17-5-9-23-45(39)55/h1-33H.
What are the key properties of N-(4-dibenzofuran-4-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]-19-amine?
N-(4-dibenzofuran-4-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]-19-amine has a molecular weight of 755.87 g/mol, XLogP of 14.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-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]-19-amine is sourced from PubChem (CID 138582786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).