N-dibenzofuran-4-yl-17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine

C66H40N2O3 — CID 118149018

IUPACN-dibenzofuran-4-yl-17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)Oc3cccc5c3c-4cc3c4ccccc4c(N(c4ccccc4)c4cccc6c4oc4ccccc46)cc53)cc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C66H40N2O3/c1-3-16-43(17-4-1)67(57-27-13-25-52-48-22-9-11-29-60(48)70-65(52)57)45-35-32-41(33-36-45)42-34-37-50-56-39-54-46-20-7-8-21-47(46)59(40-55(54)51-24-15-31-62(64(51)56)69-63(50)38-42)68(44-18-5-2-6-19-44)58-28-14-26-53-49-23-10-12-30-61(49)71-66(53)58/h1-40H
InChIKeyJFNLOSGDNWUOEN-UHFFFAOYSA-N
MW909.06 g/mol
LogP19.32
Rot. Bonds7

About N-dibenzofuran-4-yl-17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine

N-dibenzofuran-4-yl-17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine (PubChem CID 118149018) has the molecular formula C66H40N2O3 and a molecular weight of 909.06 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine
PubChem CID118149018
Molecular FormulaC66H40N2O3
Molecular Weight909.06 g/mol
Exact Mass908.30
IUPAC NameN-dibenzofuran-4-yl-17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)Oc3cccc5c3c-4cc3c4ccccc4c(N(c4ccccc4)c4cccc6c4oc4ccccc46)cc53)cc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C66H40N2O3/c1-3-16-43(17-4-1)67(57-27-13-25-52-48-22-9-11-29-60(48)70-65(52)57)45-35-32-41(33-36-45)42-34-37-50-56-39-54-46-20-7-8-21-47(46)59(40-55(54)51-24-15-31-62(64(51)56)69-63(50)38-42)68(44-18-5-2-6-19-44)58-28-14-26-53-49-23-10-12-30-61(49)71-66(53)58/h1-40H
InChIKeyJFNLOSGDNWUOEN-UHFFFAOYSA-N
XLogP19.32
TPSA41.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.06
LogP ≤ 519.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-dibenzofuran-4-yl-17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine with MolForge

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Related Compounds

17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-8,23-dimethyl-N,N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaen-4-amine
CID 121476802
N-dibenzofuran-4-yl-5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N-phenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine
CID 121295952
5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine;5-[4-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]-N,N-diphenyl-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine;N,N-diphenyl-5-[4-(N-(2-phenylphenyl)anilino)phenyl]-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-amine
CID 159844829
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 122493236
N-dibenzofuran-4-yl-16-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-phenylphenyl)-8-oxapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine
CID 121295928
5-N-dibenzofuran-4-yl-5-N,14-N,14-N-triphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
CID 122473491
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine
CID 122493254
5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-14-amine
CID 122473536
17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-4-N,17-N-bis(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
CID 118148954
4-N,17-N-di(dibenzofuran-4-yl)-7,22-dimethyl-4-N,17-N-diphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5(10),6,8,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N,17-N-di(dibenzofuran-4-yl)-4-N,17-N,23-triphenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
CID 157101335
4-N-dibenzofuran-4-yl-4-N,17-N-diphenyl-17-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-dibenzofuran-4-yl-17-N-phenyl-4-N-(2-phenylphenyl)-17-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-naphthalen-2-yl-4-N,17-N-diphenyl-17-N-(4-trimethylsilylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
CID 159690787
N-dibenzofuran-2-yl-N-phenyl-4-[4-(N-(2-phenylphenyl)anilino)phenyl]-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
CID 118148995

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine?
The IUPAC name of N-dibenzofuran-4-yl-17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine (CID 118149018) is N-dibenzofuran-4-yl-17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine?
The canonical SMILES for N-dibenzofuran-4-yl-17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine is c1ccc(N(c2ccc(-c3ccc4c(c3)Oc3cccc5c3c-4cc3c4ccccc4c(N(c4ccccc4)c4cccc6c4oc4ccccc46)cc53)cc2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine?
The InChIKey is JFNLOSGDNWUOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2O3/c1-3-16-43(17-4-1)67(57-27-13-25-52-48-22-9-11-29-60(48)70-65(52)57)45-35-32-41(33-36-45)42-34-37-50-56-39-54-46-20-7-8-21-47(46)59(40-55(54)51-24-15-31-62(64(51)56)69-63(50)38-42)68(44-18-5-2-6-19-44)58-28-14-26-53-49-23-10-12-30-61(49)71-66(53)58/h1-40H.
What are the key properties of N-dibenzofuran-4-yl-17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine?
N-dibenzofuran-4-yl-17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine has a molecular weight of 909.06 g/mol, XLogP of 19.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-17-[4-(N-dibenzofuran-4-ylanilino)phenyl]-N-phenyl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-4-amine is sourced from PubChem (CID 118149018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).