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

C58H39NO — CID 176598367

IUPACN-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
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4-c4c(-c6ccc(-c7ccccc7)cc6)cccc4-c4cc6ccccc6cc4O5)cc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-4-14-40(15-5-1)42-26-28-44(29-27-42)45-34-36-50(37-35-45)59(49-20-8-3-9-21-49)54-24-13-25-55-58(54)57-51(46-32-30-43(31-33-46)41-16-6-2-7-17-41)22-12-23-52(57)53-38-47-18-10-11-19-48(47)39-56(53)60-55/h1-39H
InChIKeyKUCRIBAWEMBCJG-UHFFFAOYSA-N
MW765.96 g/mol
LogP16.42
Rot. Bonds7

About 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

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 (PubChem CID 176598367) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID176598367
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-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
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4-c4c(-c6ccc(-c7ccccc7)cc6)cccc4-c4cc6ccccc6cc4O5)cc3)cc2)cc1
InChIInChI=1S/C58H39NO/c1-4-14-40(15-5-1)42-26-28-44(29-27-42)45-34-36-50(37-35-45)59(49-20-8-3-9-21-49)54-24-13-25-55-58(54)57-51(46-32-30-43(31-33-46)41-16-6-2-7-17-41)22-12-23-52(57)53-38-47-18-10-11-19-48(47)39-56(53)60-55/h1-39H
InChIKeyKUCRIBAWEMBCJG-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 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 with MolForge

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Related Compounds

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
N-phenyl-5-(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-12-amine
CID 176598344
11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine
CID 168855464
N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine
CID 176597592
2-phenanthren-9-yl-N-phenyl-3-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 177274758
N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 168789431
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
13-naphthalen-1-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-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-6-amine
CID 176597789
2-phenanthren-9-yl-3-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 177274928
N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine
CID 176598016
2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 139352585
N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254069

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4-c4c(-c6ccc(-c7ccccc7)cc6)cccc4-c4cc6ccccc6cc4O5)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is KUCRIBAWEMBCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-4-14-40(15-5-1)42-26-28-44(29-27-42)45-34-36-50(37-35-45)59(49-20-8-3-9-21-49)54-24-13-25-55-58(54)57-51(46-32-30-43(31-33-46)41-16-6-2-7-17-41)22-12-23-52(57)53-38-47-18-10-11-19-48(47)39-56(53)60-55/h1-39H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 176598367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).