16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine

C56H37NO — CID 171433656

IUPAC16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)c5c4oc4c6ccccc6c6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C56H37NO/c1-4-14-38(15-5-1)40-24-26-41(27-25-40)43-30-34-46(35-31-43)57(45-32-28-42(29-33-45)39-16-6-2-7-17-39)52-37-36-47(44-18-8-3-9-19-44)53-54-50-22-12-10-20-48(50)49-21-11-13-23-51(49)55(54)58-56(52)53/h1-37H
InChIKeyJPBJSKZNSXOIEW-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About 16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine

16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine (PubChem CID 171433656) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is 16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine.

Molecular Properties

Compound Name16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine
PubChem CID171433656
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC Name16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)c5c4oc4c6ccccc6c6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C56H37NO/c1-4-14-38(15-5-1)40-24-26-41(27-25-40)43-30-34-46(35-31-43)57(45-32-28-42(29-33-45)39-16-6-2-7-17-39)52-37-36-47(44-18-8-3-9-19-44)53-54-50-22-12-10-20-48(50)49-21-11-13-23-51(49)55(54)58-56(52)53/h1-37H
InChIKeyJPBJSKZNSXOIEW-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine with MolForge

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-[16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-yl]phenyl]aniline
CID 171433540
N,N-bis(9,9-dimethylfluoren-2-yl)-16-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine
CID 171433657
N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435159
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
6,9-diphenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168772122
4-phenyl-N-[4-(18-phenyl-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-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 171433284
N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126851
N,N-bis(9,9-dimethylfluoren-2-yl)-19-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-16-amine
CID 171433250
4-phenyl-N-[4-[4-(18-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-16-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 171433357
N,18-diphenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-16-amine
CID 171433087
N-phenyl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144324
N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171434862

Frequently Asked Questions

What is the IUPAC name of 16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine?
The IUPAC name of 16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine (CID 171433656) is 16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine.
What is the SMILES notation for 16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine?
The canonical SMILES for 16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)c5c4oc4c6ccccc6c6ccccc6c45)cc3)cc2)cc1.
What is the InChIKey of 16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine?
The InChIKey is JPBJSKZNSXOIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-4-14-38(15-5-1)40-24-26-41(27-25-40)43-30-34-46(35-31-43)57(45-32-28-42(29-33-45)39-16-6-2-7-17-39)52-37-36-47(44-18-8-3-9-19-44)53-54-50-22-12-10-20-48(50)49-21-11-13-23-51(49)55(54)58-56(52)53/h1-37H.
What are the key properties of 16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine?
16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine has a molecular weight of 739.92 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-amine is sourced from PubChem (CID 171433656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).