N-(4-dibenzofuran-4-ylphenyl)-16-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine

C56H35NO2 — CID 171433536

IUPACN-(4-dibenzofuran-4-ylphenyl)-16-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4oc5c6ccccc6c6ccccc6c5c4c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C56H35NO2/c1-3-14-36(15-4-1)37-26-30-40(31-27-37)57(41-32-28-38(29-33-41)42-23-13-24-48-45-20-11-12-25-50(45)58-55(42)48)49-34-35-51-54(52(49)39-16-5-2-6-17-39)53-46-21-9-7-18-43(46)44-19-8-10-22-47(44)56(53)59-51/h1-35H
InChIKeyJRQFTWGCIJGACG-UHFFFAOYSA-N
MW753.90 g/mol
LogP16.26
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-16-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine

N-(4-dibenzofuran-4-ylphenyl)-16-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine (PubChem CID 171433536) has the molecular formula C56H35NO2 and a molecular weight of 753.90 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-16-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-16-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine
PubChem CID171433536
Molecular FormulaC56H35NO2
Molecular Weight753.90 g/mol
Exact Mass753.27
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-16-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4oc5c6ccccc6c6ccccc6c5c4c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C56H35NO2/c1-3-14-36(15-4-1)37-26-30-40(31-27-37)57(41-32-28-38(29-33-41)42-23-13-24-48-45-20-11-12-25-50(45)58-55(42)48)49-34-35-51-54(52(49)39-16-5-2-6-17-39)53-46-21-9-7-18-43(46)44-19-8-10-22-47(44)56(53)59-51/h1-35H
InChIKeyJRQFTWGCIJGACG-UHFFFAOYSA-N
XLogP16.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.90
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-dibenzofuran-4-ylphenyl)-16-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine with MolForge

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Related Compounds

16-phenyl-N,N-bis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine
CID 171433561
N-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281522
N-(4-dibenzofuran-4-ylphenyl)-17-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-16-amine
CID 171433045
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788600
N-(4-dibenzofuran-4-ylphenyl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675432
N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435159
N-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine
CID 171433672
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
12-N-(4-dibenzofuran-4-ylphenyl)-3-N,3-N-diphenyl-12-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine
CID 168855917
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 168805440
N,4-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 135277344
4-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 135277582

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-16-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-16-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine (CID 171433536) is N-(4-dibenzofuran-4-ylphenyl)-16-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-16-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-16-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4oc5c6ccccc6c6ccccc6c5c4c3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-16-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine?
The InChIKey is JRQFTWGCIJGACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO2/c1-3-14-36(15-4-1)37-26-30-40(31-27-37)57(41-32-28-38(29-33-41)42-23-13-24-48-45-20-11-12-25-50(45)58-55(42)48)49-34-35-51-54(52(49)39-16-5-2-6-17-39)53-46-21-9-7-18-43(46)44-19-8-10-22-47(44)56(53)59-51/h1-35H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-16-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine?
N-(4-dibenzofuran-4-ylphenyl)-16-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine has a molecular weight of 753.90 g/mol, XLogP of 16.26, 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)-16-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine is sourced from PubChem (CID 171433536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).