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

C55H35NO3 — CID 138581681

IUPACN-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
SMILESC1=CC(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc3c2Oc2cc4c(cc2O3)-c2ccccc2C42c3ccccc3-c3ccccc32)=CCC1
InChIInChI=1S/C55H35NO3/c1-2-13-36(14-3-1)56(37-28-25-34(26-29-37)35-27-30-42-41-18-7-11-23-49(41)57-51(42)31-35)48-22-12-24-50-54(48)59-53-33-47-43(32-52(53)58-50)40-17-6-10-21-46(40)55(47)44-19-8-4-15-38(44)39-16-5-9-20-45(39)55/h2,4-33H,1,3H2
InChIKeyQWAMIHIETMCQNM-UHFFFAOYSA-N
MW757.89 g/mol
LogP14.87
Rot. Bonds4

About 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

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 (PubChem CID 138581681) has the molecular formula C55H35NO3 and a molecular weight of 757.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID138581681
Molecular FormulaC55H35NO3
Molecular Weight757.89 g/mol
Exact Mass757.26
IUPAC NameN-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
SMILESC1=CC(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc3c2Oc2cc4c(cc2O3)-c2ccccc2C42c3ccccc3-c3ccccc32)=CCC1
InChIInChI=1S/C55H35NO3/c1-2-13-36(14-3-1)56(37-28-25-34(26-29-37)35-27-30-42-41-18-7-11-23-49(41)57-51(42)31-35)48-22-12-24-50-54(48)59-53-33-47-43(32-52(53)58-50)40-17-6-10-21-46(40)55(47)44-19-8-4-15-38(44)39-16-5-9-20-45(39)55/h2,4-33H,1,3H2
InChIKeyQWAMIHIETMCQNM-UHFFFAOYSA-N
XLogP14.87
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 ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 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-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
N-(4-dibenzofuran-3-ylphenyl)-N-phenylspiro[9,10-dihydroindeno[1,2-a]oxanthrene-8,9'-fluorene]-4-amine
CID 138582677
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-(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-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-3-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476806
N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164784270
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-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine
CID 130308762
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC(N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2cccc3c2Oc2cc4c(cc2O3)-c2ccccc2C42c3ccccc3-c3ccccc32)=CCC1.
What is the InChIKey of 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?
The InChIKey is QWAMIHIETMCQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO3/c1-2-13-36(14-3-1)56(37-28-25-34(26-29-37)35-27-30-42-41-18-7-11-23-49(41)57-51(42)31-35)48-22-12-24-50-54(48)59-53-33-47-43(32-52(53)58-50)40-17-6-10-21-46(40)55(47)44-19-8-4-15-38(44)39-16-5-9-20-45(39)55/h2,4-33H,1,3H2.
What are the key properties of 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?
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 has a molecular weight of 757.89 g/mol, XLogP of 14.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138581681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).