2-phenyl-N-[4-(3-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9,11,13,16,18,20,22-undecaen-22-yl)phenyl]-N-(4-phenylphenyl)aniline

C58H39NO — CID 171757536

IUPAC2-phenyl-N-[4-(3-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9,11,13,16,18,20,22-undecaen-22-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5c(c6ccccc46)-c4ccccc4Oc4cccc(-c6ccccc6)c4-5)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-4-17-40(18-5-1)41-31-35-45(36-32-41)59(54-28-14-12-23-47(54)42-19-6-2-7-20-42)46-37-33-44(34-38-46)52-39-53-57(50-25-11-10-24-49(50)52)51-26-13-15-29-55(51)60-56-30-16-27-48(58(53)56)43-21-8-3-9-22-43/h1-39H
InChIKeyYXDATGNAVGRCSD-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.42
Rot. Bonds7

About 2-phenyl-N-[4-(3-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9,11,13,16,18,20,22-undecaen-22-yl)phenyl]-N-(4-phenylphenyl)aniline

2-phenyl-N-[4-(3-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9,11,13,16,18,20,22-undecaen-22-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 171757536) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is 2-phenyl-N-[4-(3-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9,11,13,16,18,20,22-undecaen-22-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-phenyl-N-[4-(3-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9,11,13,16,18,20,22-undecaen-22-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID171757536
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC Name2-phenyl-N-[4-(3-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9,11,13,16,18,20,22-undecaen-22-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5c(c6ccccc46)-c4ccccc4Oc4cccc(-c6ccccc6)c4-5)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-4-17-40(18-5-1)41-31-35-45(36-32-41)59(54-28-14-12-23-47(54)42-19-6-2-7-20-42)46-37-33-44(34-38-46)52-39-53-57(50-25-11-10-24-49(50)52)51-26-13-15-29-55(51)60-56-30-16-27-48(58(53)56)43-21-8-3-9-22-43/h1-39H
InChIKeyYXDATGNAVGRCSD-UHFFFAOYSA-N
XLogP16.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-N-[4-(3-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9,11,13,16,18,20,22-undecaen-22-yl)phenyl]-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

4-phenyl-N-[4-(19-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 176597557
2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155304911
N-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-2-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 174303345
N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-3-amine
CID 169063647
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 169062413
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 172527006
2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167143735
N,N-bis(4-phenylphenyl)-8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-amine
CID 146509754
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
N-(4-phenanthren-9-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 172527338
3,12-diphenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaene
CID 118860586
N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 164831677

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(3-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9,11,13,16,18,20,22-undecaen-22-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-phenyl-N-[4-(3-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9,11,13,16,18,20,22-undecaen-22-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 171757536) is 2-phenyl-N-[4-(3-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9,11,13,16,18,20,22-undecaen-22-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-phenyl-N-[4-(3-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9,11,13,16,18,20,22-undecaen-22-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-phenyl-N-[4-(3-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9,11,13,16,18,20,22-undecaen-22-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cc5c(c6ccccc46)-c4ccccc4Oc4cccc(-c6ccccc6)c4-5)cc3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-phenyl-N-[4-(3-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9,11,13,16,18,20,22-undecaen-22-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is YXDATGNAVGRCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-4-17-40(18-5-1)41-31-35-45(36-32-41)59(54-28-14-12-23-47(54)42-19-6-2-7-20-42)46-37-33-44(34-38-46)52-39-53-57(50-25-11-10-24-49(50)52)51-26-13-15-29-55(51)60-56-30-16-27-48(58(53)56)43-21-8-3-9-22-43/h1-39H.
What are the key properties of 2-phenyl-N-[4-(3-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9,11,13,16,18,20,22-undecaen-22-yl)phenyl]-N-(4-phenylphenyl)aniline?
2-phenyl-N-[4-(3-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9,11,13,16,18,20,22-undecaen-22-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 765.96 g/mol, XLogP of 16.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(3-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2,4,6,9,11,13,16,18,20,22-undecaen-22-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 171757536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).