12,14,18,20-tetramethyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(17),2(15),3,6,8,10,13,18,21,23,25,28-dodecaene

C31H28N2 — CID 71004422

IUPAC12,14,18,20-tetramethyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(17),2(15),3,6,8,10,13,18,21,23,25,28-dodecaene
SMILESCc1c2c(cc3c1N(C)c1ccccc1C3)-c1cc3c(c(C)c1C2)N(C)c1ccccc1C3
InChIInChI=1S/C31H28N2/c1-18-24-17-25-19(2)31-23(14-21-10-6-8-12-29(21)33(31)4)16-27(25)26(24)15-22-13-20-9-5-7-11-28(20)32(3)30(18)22/h5-12,15-16H,13-14,17H2,1-4H3
InChIKeyDAMSLYHJCVGVMD-UHFFFAOYSA-N
MW428.58 g/mol
LogP7.22
Rot. Bonds

About 12,14,18,20-tetramethyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(17),2(15),3,6,8,10,13,18,21,23,25,28-dodecaene

12,14,18,20-tetramethyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(17),2(15),3,6,8,10,13,18,21,23,25,28-dodecaene (PubChem CID 71004422) has the molecular formula C31H28N2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 12,14,18,20-tetramethyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(17),2(15),3,6,8,10,13,18,21,23,25,28-dodecaene.

Molecular Properties

Compound Name12,14,18,20-tetramethyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(17),2(15),3,6,8,10,13,18,21,23,25,28-dodecaene
PubChem CID71004422
Molecular FormulaC31H28N2
Molecular Weight428.58 g/mol
Exact Mass428.23
IUPAC Name12,14,18,20-tetramethyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(17),2(15),3,6,8,10,13,18,21,23,25,28-dodecaene
SMILESCc1c2c(cc3c1N(C)c1ccccc1C3)-c1cc3c(c(C)c1C2)N(C)c1ccccc1C3
InChIInChI=1S/C31H28N2/c1-18-24-17-25-19(2)31-23(14-21-10-6-8-12-29(21)33(31)4)16-27(25)26(24)15-22-13-20-9-5-7-11-28(20)32(3)30(18)22/h5-12,15-16H,13-14,17H2,1-4H3
InChIKeyDAMSLYHJCVGVMD-UHFFFAOYSA-N
XLogP7.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12,14,18,20-tetramethyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(17),2(15),3,6,8,10,13,18,21,23,25,28-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12,14,18,20-tetramethyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(17),2(15),3,6,8,10,13,18,21,23,25,28-dodecaene?
The IUPAC name of 12,14,18,20-tetramethyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(17),2(15),3,6,8,10,13,18,21,23,25,28-dodecaene (CID 71004422) is 12,14,18,20-tetramethyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(17),2(15),3,6,8,10,13,18,21,23,25,28-dodecaene.
What is the SMILES notation for 12,14,18,20-tetramethyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(17),2(15),3,6,8,10,13,18,21,23,25,28-dodecaene?
The canonical SMILES for 12,14,18,20-tetramethyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(17),2(15),3,6,8,10,13,18,21,23,25,28-dodecaene is Cc1c2c(cc3c1N(C)c1ccccc1C3)-c1cc3c(c(C)c1C2)N(C)c1ccccc1C3.
What is the InChIKey of 12,14,18,20-tetramethyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(17),2(15),3,6,8,10,13,18,21,23,25,28-dodecaene?
The InChIKey is DAMSLYHJCVGVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2/c1-18-24-17-25-19(2)31-23(14-21-10-6-8-12-29(21)33(31)4)16-27(25)26(24)15-22-13-20-9-5-7-11-28(20)32(3)30(18)22/h5-12,15-16H,13-14,17H2,1-4H3.
What are the key properties of 12,14,18,20-tetramethyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(17),2(15),3,6,8,10,13,18,21,23,25,28-dodecaene?
12,14,18,20-tetramethyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(17),2(15),3,6,8,10,13,18,21,23,25,28-dodecaene has a molecular weight of 428.58 g/mol, XLogP of 7.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,14,18,20-tetramethyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(17),2(15),3,6,8,10,13,18,21,23,25,28-dodecaene is sourced from PubChem (CID 71004422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).