6,9,14-tritert-butyl-8,10,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene

C25H32N4 — CID 140607275

IUPAC6,9,14-tritert-butyl-8,10,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene
SMILESCC(C)(C)c1cc2nc3c4cccc(C(C)(C)C)c4nc(C(C)(C)C)n3c2cn1
InChIInChI=1S/C25H32N4/c1-23(2,3)16-12-10-11-15-20(16)28-22(25(7,8)9)29-18-14-26-19(24(4,5)6)13-17(18)27-21(15)29/h10-14H,1-9H3
InChIKeyDDBUAHIVUFAYPH-UHFFFAOYSA-N
MW388.56 g/mol
LogP6.32
Rot. Bonds

About 6,9,14-tritert-butyl-8,10,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene

6,9,14-tritert-butyl-8,10,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene (PubChem CID 140607275) has the molecular formula C25H32N4 and a molecular weight of 388.56 g/mol. Its IUPAC name is 6,9,14-tritert-butyl-8,10,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene.

Molecular Properties

Compound Name6,9,14-tritert-butyl-8,10,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene
PubChem CID140607275
Molecular FormulaC25H32N4
Molecular Weight388.56 g/mol
Exact Mass388.26
IUPAC Name6,9,14-tritert-butyl-8,10,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene
SMILESCC(C)(C)c1cc2nc3c4cccc(C(C)(C)C)c4nc(C(C)(C)C)n3c2cn1
InChIInChI=1S/C25H32N4/c1-23(2,3)16-12-10-11-15-20(16)28-22(25(7,8)9)29-18-14-26-19(24(4,5)6)13-17(18)27-21(15)29/h10-14H,1-9H3
InChIKeyDDBUAHIVUFAYPH-UHFFFAOYSA-N
XLogP6.32
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,9,14-tritert-butyl-8,10,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene with MolForge

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Related Compounds

9,14-ditert-butyl-22-oxa-6,10,13,15-tetrazahexacyclo[17.2.1.02,18.04,16.05,13.07,12]docosa-1,3,5,7,9,11,14,16,18,20-decaene
CID 123952986
6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline
CID 70652129
6-tert-butyl-9-[3-(3,5-diphenylphenyl)phenyl]-5,7,15-triazahexacyclo[17.2.2.02,18.04,16.05,14.08,13]tricosa-2,4(16),6,8(13),9,11,14,17-octaene
CID 140756513
10,14-ditert-butyl-6,9,13,15-tetrazahexacyclo[17.2.1.02,18.04,16.05,13.07,12]docosa-2(18),3,5,7,9,11,14,16-octaene;9,14-ditert-butyl-6,13,15-triazahexacyclo[17.2.1.02,18.04,16.05,13.07,12]docosa-2(18),3,5,7(12),8,10,14,16-octaene
CID 160577211
6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline
CID 70651848
6,10-ditert-butyl-1,19-dimethyl-5,7,9,15-tetrazahexacyclo[17.2.1.02,18.04,16.05,14.08,13]docosa-2,4(16),6,8(13),9,11,14,17-octaene
CID 118372398
butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane
CID 144768129
10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline
CID 134191334
18-methyl-6,12,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15(20),16,18-decaene
CID 159760734
3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline
CID 70651033
17-(6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazolin-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
CID 158516988
butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene
CID 145369484

Frequently Asked Questions

What is the IUPAC name of 6,9,14-tritert-butyl-8,10,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene?
The IUPAC name of 6,9,14-tritert-butyl-8,10,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene (CID 140607275) is 6,9,14-tritert-butyl-8,10,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene.
What is the SMILES notation for 6,9,14-tritert-butyl-8,10,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene?
The canonical SMILES for 6,9,14-tritert-butyl-8,10,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene is CC(C)(C)c1cc2nc3c4cccc(C(C)(C)C)c4nc(C(C)(C)C)n3c2cn1.
What is the InChIKey of 6,9,14-tritert-butyl-8,10,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene?
The InChIKey is DDBUAHIVUFAYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4/c1-23(2,3)16-12-10-11-15-20(16)28-22(25(7,8)9)29-18-14-26-19(24(4,5)6)13-17(18)27-21(15)29/h10-14H,1-9H3.
What are the key properties of 6,9,14-tritert-butyl-8,10,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene?
6,9,14-tritert-butyl-8,10,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene has a molecular weight of 388.56 g/mol, XLogP of 6.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,14-tritert-butyl-8,10,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene is sourced from PubChem (CID 140607275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).