13,28-bis(2-chlorophenoxy)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene

C42H24Cl2N2O2 — CID 146512566

IUPAC13,28-bis(2-chlorophenoxy)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene
SMILESClc1ccccc1OC1=C2c3ccccc3N3c4cc5c6ccc(Oc7ccccc7Cl)c7c8ccccc8n(c5cc4C(C=C1)C23)c67
InChIInChI=1S/C42H24Cl2N2O2/c43-29-11-3-7-15-35(29)47-37-19-17-23-27-22-34-28(21-33(27)45-31-13-5-1-9-25(31)39(37)41(23)45)24-18-20-38(48-36-16-8-4-12-30(36)44)40-26-10-2-6-14-32(26)46(34)42(24)40/h1-23,41H
InChIKeyRPXILZKJXSOQAL-UHFFFAOYSA-N
MW659.57 g/mol
LogP11.91
Rot. Bonds4

About 13,28-bis(2-chlorophenoxy)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene

13,28-bis(2-chlorophenoxy)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene (PubChem CID 146512566) has the molecular formula C42H24Cl2N2O2 and a molecular weight of 659.57 g/mol. Its IUPAC name is 13,28-bis(2-chlorophenoxy)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene.

Molecular Properties

Compound Name13,28-bis(2-chlorophenoxy)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene
PubChem CID146512566
Molecular FormulaC42H24Cl2N2O2
Molecular Weight659.57 g/mol
Exact Mass658.12
IUPAC Name13,28-bis(2-chlorophenoxy)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene
SMILESClc1ccccc1OC1=C2c3ccccc3N3c4cc5c6ccc(Oc7ccccc7Cl)c7c8ccccc8n(c5cc4C(C=C1)C23)c67
InChIInChI=1S/C42H24Cl2N2O2/c43-29-11-3-7-15-35(29)47-37-19-17-23-27-22-34-28(21-33(27)45-31-13-5-1-9-25(31)39(37)41(23)45)24-18-20-38(48-36-16-8-4-12-30(36)44)40-26-10-2-6-14-32(26)46(34)42(24)40/h1-23,41H
InChIKeyRPXILZKJXSOQAL-UHFFFAOYSA-N
XLogP11.91
TPSA26.11 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.57
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13,28-bis(2-chlorophenoxy)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13,28-bis(2-chlorophenoxy)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene?
The IUPAC name of 13,28-bis(2-chlorophenoxy)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene (CID 146512566) is 13,28-bis(2-chlorophenoxy)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene.
What is the SMILES notation for 13,28-bis(2-chlorophenoxy)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene?
The canonical SMILES for 13,28-bis(2-chlorophenoxy)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene is Clc1ccccc1OC1=C2c3ccccc3N3c4cc5c6ccc(Oc7ccccc7Cl)c7c8ccccc8n(c5cc4C(C=C1)C23)c67.
What is the InChIKey of 13,28-bis(2-chlorophenoxy)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene?
The InChIKey is RPXILZKJXSOQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24Cl2N2O2/c43-29-11-3-7-15-35(29)47-37-19-17-23-27-22-34-28(21-33(27)45-31-13-5-1-9-25(31)39(37)41(23)45)24-18-20-38(48-36-16-8-4-12-30(36)44)40-26-10-2-6-14-32(26)46(34)42(24)40/h1-23,41H.
What are the key properties of 13,28-bis(2-chlorophenoxy)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene?
13,28-bis(2-chlorophenoxy)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene has a molecular weight of 659.57 g/mol, XLogP of 11.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13,28-bis(2-chlorophenoxy)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene is sourced from PubChem (CID 146512566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).