N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-4-amine

C58H37NO2 — CID 171757387

IUPACN-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)-c3ccc5ccccc5c3Oc3cccc(-c5ccccc5)c3-4)cc2)cc1
InChIInChI=1S/C58H37NO2/c1-3-13-38(14-4-1)39-25-30-43(31-26-39)59(44-32-27-42(28-33-44)48-21-11-22-51-49-19-9-10-23-54(49)60-57(48)51)45-34-36-50-53(37-45)52-35-29-41-17-7-8-18-47(41)58(52)61-55-24-12-20-46(56(50)55)40-15-5-2-6-16-40/h1-37H
InChIKeyQINIHCAYIAFKOL-UHFFFAOYSA-N
MW779.94 g/mol
LogP16.65
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-4-amine

N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-4-amine (PubChem CID 171757387) has the molecular formula C58H37NO2 and a molecular weight of 779.94 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-4-amine
PubChem CID171757387
Molecular FormulaC58H37NO2
Molecular Weight779.94 g/mol
Exact Mass779.28
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)-c3ccc5ccccc5c3Oc3cccc(-c5ccccc5)c3-4)cc2)cc1
InChIInChI=1S/C58H37NO2/c1-3-13-38(14-4-1)39-25-30-43(31-26-39)59(44-32-27-42(28-33-44)48-21-11-22-51-49-19-9-10-23-54(49)60-57(48)51)45-34-36-50-53(37-45)52-35-29-41-17-7-8-18-47(41)58(52)61-55-24-12-20-46(56(50)55)40-15-5-2-6-16-40/h1-37H
InChIKeyQINIHCAYIAFKOL-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)-9-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-4-amine with MolForge

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Related Compounds

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
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine
CID 171399261
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 168809728
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168790758
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
N-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline
CID 142614641
4-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804844
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821403
N-(4-dibenzofuran-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170674929
4-N,10-N-bis(4-dibenzofuran-4-ylphenyl)-4-N,10-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 166900814

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-4-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-4-amine (CID 171757387) is N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-4-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)-c3ccc5ccccc5c3Oc3cccc(-c5ccccc5)c3-4)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-4-amine?
The InChIKey is QINIHCAYIAFKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO2/c1-3-13-38(14-4-1)39-25-30-43(31-26-39)59(44-32-27-42(28-33-44)48-21-11-22-51-49-19-9-10-23-54(49)60-57(48)51)45-34-36-50-53(37-45)52-35-29-41-17-7-8-18-47(41)58(52)61-55-24-12-20-46(56(50)55)40-15-5-2-6-16-40/h1-37H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-4-amine?
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-4-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)-9-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-4-amine is sourced from PubChem (CID 171757387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).