N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine

C53H31NO2 — CID 158027045

IUPACN-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3cccc4ccccc34)c3cc4c5ccccc5oc4c4oc5ccccc5c34)cccc21
InChIInChI=1S/C53H31NO2/c1-2-17-33-32(15-1)16-13-27-44(33)54(46-31-39-36-20-6-11-29-47(36)55-51(39)52-50(46)38-22-7-12-30-48(38)56-52)45-28-14-26-43-49(45)37-21-5-10-25-42(37)53(43)40-23-8-3-18-34(40)35-19-4-9-24-41(35)53/h1-31H
InChIKeyKZIGFYXYQVGPIJ-UHFFFAOYSA-N
MW713.84 g/mol
LogP14.45
Rot. Bonds3

About N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine

N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine (PubChem CID 158027045) has the molecular formula C53H31NO2 and a molecular weight of 713.84 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine
PubChem CID158027045
Molecular FormulaC53H31NO2
Molecular Weight713.84 g/mol
Exact Mass713.24
IUPAC NameN-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3cccc4ccccc34)c3cc4c5ccccc5oc4c4oc5ccccc5c34)cccc21
InChIInChI=1S/C53H31NO2/c1-2-17-33-32(15-1)16-13-27-44(33)54(46-31-39-36-20-6-11-29-47(36)55-51(39)52-50(46)38-22-7-12-30-48(38)56-52)45-28-14-26-43-49(45)37-21-5-10-25-42(37)53(43)40-23-8-3-18-34(40)35-19-4-9-24-41(35)53/h1-31H
InChIKeyKZIGFYXYQVGPIJ-UHFFFAOYSA-N
XLogP14.45
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.84
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine with MolForge

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Related Compounds

N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
CID 159999879
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 170421476
N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 172544842
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176583162
N-(9,9'-spirobi[fluorene]-4-yl)-N-tetraphenylen-1-ylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-amine
CID 134524868
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444554
N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 176583314
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 177114196
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915337
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730572
N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane
CID 159282486
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-1-amine
CID 121391790

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine?
The IUPAC name of N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine (CID 158027045) is N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(N(c3cccc4ccccc34)c3cc4c5ccccc5oc4c4oc5ccccc5c34)cccc21.
What is the InChIKey of N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine?
The InChIKey is KZIGFYXYQVGPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31NO2/c1-2-17-33-32(15-1)16-13-27-44(33)54(46-31-39-36-20-6-11-29-47(36)55-51(39)52-50(46)38-22-7-12-30-48(38)56-52)45-28-14-26-43-49(45)37-21-5-10-25-42(37)53(43)40-23-8-3-18-34(40)35-19-4-9-24-41(35)53/h1-31H.
What are the key properties of N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine?
N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine has a molecular weight of 713.84 g/mol, XLogP of 14.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine is sourced from PubChem (CID 158027045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).