N-(4-dibenzofuran-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16(21),17,19,22-undecaen-19-amine

C58H37NO2 — CID 171757461

IUPACN-(4-dibenzofuran-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16(21),17,19,22-undecaen-19-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c5c(ccc4c3)-c3ccccc3-c3cccc(-c4ccccc4)c3O5)cc2)cc1
InChIInChI=1S/C58H37NO2/c1-3-13-38(14-4-1)39-25-30-43(31-26-39)59(44-32-27-41(28-33-44)47-21-12-23-53-51-19-9-10-24-55(51)60-56(47)53)45-34-36-48-42(37-45)29-35-54-50-18-8-7-17-49(50)52-22-11-20-46(57(52)61-58(48)54)40-15-5-2-6-16-40/h1-37H
InChIKeyQSDZXUFYOODPCC-UHFFFAOYSA-N
MW779.94 g/mol
LogP16.65
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16(21),17,19,22-undecaen-19-amine

N-(4-dibenzofuran-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16(21),17,19,22-undecaen-19-amine (PubChem CID 171757461) has the molecular formula C58H37NO2 and a molecular weight of 779.94 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16(21),17,19,22-undecaen-19-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16(21),17,19,22-undecaen-19-amine
PubChem CID171757461
Molecular FormulaC58H37NO2
Molecular Weight779.94 g/mol
Exact Mass779.28
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16(21),17,19,22-undecaen-19-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c5c(ccc4c3)-c3ccccc3-c3cccc(-c4ccccc4)c3O5)cc2)cc1
InChIInChI=1S/C58H37NO2/c1-3-13-38(14-4-1)39-25-30-43(31-26-39)59(44-32-27-41(28-33-44)47-21-12-23-53-51-19-9-10-24-55(51)60-56(47)53)45-34-36-48-42(37-45)29-35-54-50-18-8-7-17-49(50)52-22-11-20-46(57(52)61-58(48)54)40-15-5-2-6-16-40/h1-37H
InChIKeyQSDZXUFYOODPCC-UHFFFAOYSA-N
XLogP16.65
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.94
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzofuran-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16(21),17,19,22-undecaen-19-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16(21),17,19,22-undecaen-19-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16(21),17,19,22-undecaen-19-amine (CID 171757461) is N-(4-dibenzofuran-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16(21),17,19,22-undecaen-19-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16(21),17,19,22-undecaen-19-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16(21),17,19,22-undecaen-19-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c5c(ccc4c3)-c3ccccc3-c3cccc(-c4ccccc4)c3O5)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16(21),17,19,22-undecaen-19-amine?
The InChIKey is QSDZXUFYOODPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO2/c1-3-13-38(14-4-1)39-25-30-43(31-26-39)59(44-32-27-41(28-33-44)47-21-12-23-53-51-19-9-10-24-55(51)60-56(47)53)45-34-36-48-42(37-45)29-35-54-50-18-8-7-17-49(50)52-22-11-20-46(57(52)61-58(48)54)40-15-5-2-6-16-40/h1-37H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16(21),17,19,22-undecaen-19-amine?
N-(4-dibenzofuran-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16(21),17,19,22-undecaen-19-amine has a molecular weight of 779.94 g/mol, XLogP of 16.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-12-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2,4,6,8,10,12,16(21),17,19,22-undecaen-19-amine is sourced from PubChem (CID 171757461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).