trimethyl-(10-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)germane

C23H21GeNO — CID 176607029

IUPACtrimethyl-(10-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)germane
SMILESCc1c2c(cc3ccccc13)-c1nccc3ccc([Ge](C)(C)C)c(c13)O2
InChIInChI=1S/C23H21GeNO/c1-14-17-8-6-5-7-16(17)13-18-21-20-15(11-12-25-21)9-10-19(24(2,3)4)23(20)26-22(14)18/h5-13H,1-4H3
InChIKeyDZFGVWRMEQJVGZ-UHFFFAOYSA-N
MW400.04 g/mol
LogP6.01
Rot. Bonds1

About trimethyl-(10-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)germane

trimethyl-(10-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)germane (PubChem CID 176607029) has the molecular formula C23H21GeNO and a molecular weight of 400.04 g/mol. Its IUPAC name is trimethyl-(10-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)germane.

Molecular Properties

Compound Nametrimethyl-(10-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)germane
PubChem CID176607029
Molecular FormulaC23H21GeNO
Molecular Weight400.04 g/mol
Exact Mass401.08
IUPAC Nametrimethyl-(10-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)germane
SMILESCc1c2c(cc3ccccc13)-c1nccc3ccc([Ge](C)(C)C)c(c13)O2
InChIInChI=1S/C23H21GeNO/c1-14-17-8-6-5-7-16(17)13-18-21-20-15(11-12-25-21)9-10-19(24(2,3)4)23(20)26-22(14)18/h5-13H,1-4H3
InChIKeyDZFGVWRMEQJVGZ-UHFFFAOYSA-N
XLogP6.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.04
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trimethyl-(10-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)germane with MolForge

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Related Compounds

(10-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)-trimethylgermane
CID 176606996
trimethyl-(6-methyl-10-propan-2-yl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-14-yl)germane
CID 176607048
10,15,15-trimethylspiro[12-oxa-23-azahexacyclo[11.10.1.02,11.04,9.014,18.020,24]tetracosa-1(23),2,4,6,8,10,13(24),14(18),19,21-decaene-17,1'-cyclopentane]
CID 176812453
trimethyl-[(10-propan-2-yl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)methyl]germane
CID 176607064
CID 176607028
CID 176607028
[10-(2,2-dimethylpropyl)-15-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-16-yl]-trimethylgermane
CID 176607021
2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene
CID 123673434
15-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
CID 164748209
1-[2-(4-methylphenyl)naphthalen-1-yl]benzo[h]isoquinoline
CID 166440362
[15-(2,2-dimethylpropyl)-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]methyl-trimethylgermane
CID 176606976
10-methyl-15-propan-2-yl-12,19-dioxa-23-azahexacyclo[11.10.1.02,11.04,9.017,24.018,22]tetracosa-1(23),2,4,6,8,10,13,15,17(24),18(22),20-undecaene
CID 172520364
8,10-dimethyl-15-(3-methylbutan-2-yl)-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 176881011

Frequently Asked Questions

What is the IUPAC name of trimethyl-(10-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)germane?
The IUPAC name of trimethyl-(10-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)germane (CID 176607029) is trimethyl-(10-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)germane.
What is the SMILES notation for trimethyl-(10-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)germane?
The canonical SMILES for trimethyl-(10-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)germane is Cc1c2c(cc3ccccc13)-c1nccc3ccc([Ge](C)(C)C)c(c13)O2.
What is the InChIKey of trimethyl-(10-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)germane?
The InChIKey is DZFGVWRMEQJVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21GeNO/c1-14-17-8-6-5-7-16(17)13-18-21-20-15(11-12-25-21)9-10-19(24(2,3)4)23(20)26-22(14)18/h5-13H,1-4H3.
What are the key properties of trimethyl-(10-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)germane?
trimethyl-(10-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)germane has a molecular weight of 400.04 g/mol, XLogP of 6.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(10-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)germane is sourced from PubChem (CID 176607029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).