4-phenyl-N-[4-(17-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-18-yl)phenyl]-N-(4-phenylphenyl)aniline

C56H37NO — CID 171433109

IUPAC4-phenyl-N-[4-(17-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-18-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5oc6c7ccccc7c7ccccc7c6c5cc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C56H37NO/c1-4-14-38(15-5-1)40-24-30-44(31-25-40)57(45-32-26-41(27-33-45)39-16-6-2-7-17-39)46-34-28-43(29-35-46)52-37-54-53(36-51(52)42-18-8-3-9-19-42)55-49-22-12-10-20-47(49)48-21-11-13-23-50(48)56(55)58-54/h1-37H
InChIKeyIXHOUUPDCVAMOF-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About 4-phenyl-N-[4-(17-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-18-yl)phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-(17-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-18-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 171433109) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is 4-phenyl-N-[4-(17-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-18-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-(17-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-18-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID171433109
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC Name4-phenyl-N-[4-(17-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-18-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5oc6c7ccccc7c7ccccc7c6c5cc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C56H37NO/c1-4-14-38(15-5-1)40-24-30-44(31-25-40)57(45-32-26-41(27-33-45)39-16-6-2-7-17-39)46-34-28-43(29-35-46)52-37-54-53(36-51(52)42-18-8-3-9-19-42)55-49-22-12-10-20-47(49)48-21-11-13-23-50(48)56(55)58-54/h1-37H
InChIKeyIXHOUUPDCVAMOF-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 4-phenyl-N-[4-(17-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-18-yl)phenyl]-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-[4-(18-naphthalen-2-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-17-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 171433171
N-[4-(18-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-17-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 171433180
N-[4-(17-naphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-18-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 171433289
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-18-amine
CID 171433676
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,N-bis(4-phenylphenyl)-28-oxaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-amine
CID 130465201
4-phenyl-N-(4-phenylphenyl)-N-[4-[18-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-5-yl]phenyl]aniline;5-N,5-N,18-N,18-N-tetrakis(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 158006523
4-phenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 135277321
N,4-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
CID 167143448
N-[4-(5,9-diphenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 167253431
N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline
CID 135277320
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

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(17-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-18-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-(17-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-18-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 171433109) is 4-phenyl-N-[4-(17-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-18-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-(17-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-18-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-(17-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-18-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5oc6c7ccccc7c7ccccc7c6c5cc4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(17-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-18-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is IXHOUUPDCVAMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-4-14-38(15-5-1)40-24-30-44(31-25-40)57(45-32-26-41(27-33-45)39-16-6-2-7-17-39)46-34-28-43(29-35-46)52-37-54-53(36-51(52)42-18-8-3-9-19-42)55-49-22-12-10-20-47(49)48-21-11-13-23-50(48)56(55)58-54/h1-37H.
What are the key properties of 4-phenyl-N-[4-(17-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-18-yl)phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-(17-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-18-yl)phenyl]-N-(4-phenylphenyl)aniline 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 4-phenyl-N-[4-(17-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-18-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 171433109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).