13,15-dichloro-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C17H12Cl2N2 — CID 129129461

IUPAC13,15-dichloro-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESCC1(C)c2c(Cl)nc(Cl)nc2-c2ccc3ccccc3c21
InChIInChI=1S/C17H12Cl2N2/c1-17(2)12-10-6-4-3-5-9(10)7-8-11(12)14-13(17)15(18)21-16(19)20-14/h3-8H,1-2H3
InChIKeyOOUOORZSNLQZDR-UHFFFAOYSA-N
MW315.20 g/mol
LogP5.24
Rot. Bonds

About 13,15-dichloro-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

13,15-dichloro-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 129129461) has the molecular formula C17H12Cl2N2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 13,15-dichloro-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Name13,15-dichloro-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID129129461
Molecular FormulaC17H12Cl2N2
Molecular Weight315.20 g/mol
Exact Mass314.04
IUPAC Name13,15-dichloro-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESCC1(C)c2c(Cl)nc(Cl)nc2-c2ccc3ccccc3c21
InChIInChI=1S/C17H12Cl2N2/c1-17(2)12-10-6-4-3-5-9(10)7-8-11(12)14-13(17)15(18)21-16(19)20-14/h3-8H,1-2H3
InChIKeyOOUOORZSNLQZDR-UHFFFAOYSA-N
XLogP5.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.20
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 13,15-dichloro-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene with MolForge

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Related Compounds

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CID 59742066
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CID 91017254
15-[5-(2,2-dimethylpropyl)naphthalen-1-yl]-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 168816950
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11,11-dimethyl-9-naphthalen-2-ylbenzo[a]fluorene
CID 144938907
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11,11-dimethyl-10-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-10-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[a]fluorene
CID 157498925
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CID 156524410

Frequently Asked Questions

What is the IUPAC name of 13,15-dichloro-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The IUPAC name of 13,15-dichloro-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 129129461) is 13,15-dichloro-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.
What is the SMILES notation for 13,15-dichloro-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The canonical SMILES for 13,15-dichloro-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is CC1(C)c2c(Cl)nc(Cl)nc2-c2ccc3ccccc3c21.
What is the InChIKey of 13,15-dichloro-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is OOUOORZSNLQZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2/c1-17(2)12-10-6-4-3-5-9(10)7-8-11(12)14-13(17)15(18)21-16(19)20-14/h3-8H,1-2H3.
What are the key properties of 13,15-dichloro-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
13,15-dichloro-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 315.20 g/mol, XLogP of 5.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13,15-dichloro-17,17-dimethyl-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 129129461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).