3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine

C58H39NO — CID 176597562

IUPAC3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)Oc4cc6ccccc6cc4-c4c(-c6ccccc6)cccc4-5)cc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-4-13-40(14-5-1)42-23-25-43(26-24-42)45-29-33-50(34-30-45)59(49-31-27-44(28-32-49)41-15-6-2-7-16-41)51-35-36-53-54-22-12-21-52(46-17-8-3-9-18-46)58(54)55-37-47-19-10-11-20-48(47)38-56(55)60-57(53)39-51/h1-39H
InChIKeyKDMPWWXRURWPCT-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.42
Rot. Bonds7

About 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine

3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine (PubChem CID 176597562) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine.

Molecular Properties

Compound Name3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine
PubChem CID176597562
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC Name3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)Oc4cc6ccccc6cc4-c4c(-c6ccccc6)cccc4-5)cc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-4-13-40(14-5-1)42-23-25-43(26-24-42)45-29-33-50(34-30-45)59(49-31-27-44(28-32-49)41-15-6-2-7-16-41)51-35-36-53-54-22-12-21-52(46-17-8-3-9-18-46)58(54)55-37-47-19-10-11-20-48(47)38-56(55)60-57(53)39-51/h1-39H
InChIKeyKDMPWWXRURWPCT-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 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine with MolForge

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Related Compounds

N-naphthalen-2-yl-3,17-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine
CID 176598441
4-phenyl-N,N-bis(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8(13),9,11,15,17,19,21-undecaen-11-amine
CID 176598086
6,18-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine
CID 176597744
4-naphthalen-1-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8(13),9,11,15,17,19,21-undecaen-11-amine
CID 176598172
N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-[4-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161127456
N-phenyl-6-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine
CID 176598367
N,N-bis(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-5-amine
CID 171757615
N-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-5-amine
CID 176598425
N-naphthalen-2-yl-3,16-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 176597550
N-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-5-amine
CID 176598062
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine
CID 176597554
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

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine?
The IUPAC name of 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine (CID 176597562) is 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine.
What is the SMILES notation for 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine?
The canonical SMILES for 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)Oc4cc6ccccc6cc4-c4c(-c6ccccc6)cccc4-5)cc3)cc2)cc1.
What is the InChIKey of 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine?
The InChIKey is KDMPWWXRURWPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-4-13-40(14-5-1)42-23-25-43(26-24-42)45-29-33-50(34-30-45)59(49-31-27-44(28-32-49)41-15-6-2-7-16-41)51-35-36-53-54-22-12-21-52(46-17-8-3-9-18-46)58(54)55-37-47-19-10-11-20-48(47)38-56(55)60-57(53)39-51/h1-39H.
What are the key properties of 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine?
3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine 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 3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine is sourced from PubChem (CID 176597562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).