13,28-dichloro-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene

C30H14Cl2N2 — CID 155399069

IUPAC13,28-dichloro-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene
SMILESClc1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc(Cl)c2c3ccccc3n4c12
InChIInChI=1S/C30H14Cl2N2/c31-21-11-9-15-19-14-26-20(13-25(19)33-23-7-3-1-5-17(23)27(21)29(15)33)16-10-12-22(32)28-18-6-2-4-8-24(18)34(26)30(16)28/h1-14H
InChIKeyXTGCNBYNWOKEHH-UHFFFAOYSA-N
MW473.36 g/mol
LogP9.29
Rot. Bonds

About 13,28-dichloro-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene

13,28-dichloro-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene (PubChem CID 155399069) has the molecular formula C30H14Cl2N2 and a molecular weight of 473.36 g/mol. Its IUPAC name is 13,28-dichloro-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene.

Molecular Properties

Compound Name13,28-dichloro-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene
PubChem CID155399069
Molecular FormulaC30H14Cl2N2
Molecular Weight473.36 g/mol
Exact Mass472.05
IUPAC Name13,28-dichloro-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene
SMILESClc1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc(Cl)c2c3ccccc3n4c12
InChIInChI=1S/C30H14Cl2N2/c31-21-11-9-15-19-14-26-20(13-25(19)33-23-7-3-1-5-17(23)27(21)29(15)33)16-10-12-22(32)28-18-6-2-4-8-24(18)34(26)30(16)28/h1-14H
InChIKeyXTGCNBYNWOKEHH-UHFFFAOYSA-N
XLogP9.29
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.36
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 13,28-dichloro-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13,28-dichloro-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene?
The IUPAC name of 13,28-dichloro-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene (CID 155399069) is 13,28-dichloro-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene.
What is the SMILES notation for 13,28-dichloro-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene?
The canonical SMILES for 13,28-dichloro-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene is Clc1ccc2c3cc4c(cc3n3c5ccccc5c1c23)c1ccc(Cl)c2c3ccccc3n4c12.
What is the InChIKey of 13,28-dichloro-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene?
The InChIKey is XTGCNBYNWOKEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H14Cl2N2/c31-21-11-9-15-19-14-26-20(13-25(19)33-23-7-3-1-5-17(23)27(21)29(15)33)16-10-12-22(32)28-18-6-2-4-8-24(18)34(26)30(16)28/h1-14H.
What are the key properties of 13,28-dichloro-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene?
13,28-dichloro-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene has a molecular weight of 473.36 g/mol, XLogP of 9.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13,28-dichloro-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene is sourced from PubChem (CID 155399069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).