6,22,22-trimethyl-5-(2-methylphenyl)-4-oxa-6-azonia-22-germahexacyclo[11.11.0.02,10.03,7.015,23.016,21]tetracosa-1(24),2(10),3(7),5,8,11,13,15(23),16,18,20-undecaene

C31H26GeNO+ — CID 177124578

IUPAC6,22,22-trimethyl-5-(2-methylphenyl)-4-oxa-6-azonia-22-germahexacyclo[11.11.0.02,10.03,7.015,23.016,21]tetracosa-1(24),2(10),3(7),5,8,11,13,15(23),16,18,20-undecaene
SMILESCc1ccccc1-c1oc2c3c(ccc4cc5c(cc43)[Ge](C)(C)c3ccccc3-5)ccc2[n+]1C
InChIInChI=1S/C31H26GeNO/c1-19-9-5-6-10-22(19)31-33(4)28-16-15-20-13-14-21-17-25-23-11-7-8-12-26(23)32(2,3)27(25)18-24(21)29(20)30(28)34-31/h5-18H,1-4H3/q+1
InChIKeyCCWXORLUADNISV-UHFFFAOYSA-N
MW501.17 g/mol
LogP6.34
Rot. Bonds1

About 6,22,22-trimethyl-5-(2-methylphenyl)-4-oxa-6-azonia-22-germahexacyclo[11.11.0.02,10.03,7.015,23.016,21]tetracosa-1(24),2(10),3(7),5,8,11,13,15(23),16,18,20-undecaene

6,22,22-trimethyl-5-(2-methylphenyl)-4-oxa-6-azonia-22-germahexacyclo[11.11.0.02,10.03,7.015,23.016,21]tetracosa-1(24),2(10),3(7),5,8,11,13,15(23),16,18,20-undecaene (PubChem CID 177124578) has the molecular formula C31H26GeNO+ and a molecular weight of 501.17 g/mol. Its IUPAC name is 6,22,22-trimethyl-5-(2-methylphenyl)-4-oxa-6-azonia-22-germahexacyclo[11.11.0.02,10.03,7.015,23.016,21]tetracosa-1(24),2(10),3(7),5,8,11,13,15(23),16,18,20-undecaene.

Molecular Properties

Compound Name6,22,22-trimethyl-5-(2-methylphenyl)-4-oxa-6-azonia-22-germahexacyclo[11.11.0.02,10.03,7.015,23.016,21]tetracosa-1(24),2(10),3(7),5,8,11,13,15(23),16,18,20-undecaene
PubChem CID177124578
Molecular FormulaC31H26GeNO+
Molecular Weight501.17 g/mol
Exact Mass502.12
IUPAC Name6,22,22-trimethyl-5-(2-methylphenyl)-4-oxa-6-azonia-22-germahexacyclo[11.11.0.02,10.03,7.015,23.016,21]tetracosa-1(24),2(10),3(7),5,8,11,13,15(23),16,18,20-undecaene
SMILESCc1ccccc1-c1oc2c3c(ccc4cc5c(cc43)[Ge](C)(C)c3ccccc3-5)ccc2[n+]1C
InChIInChI=1S/C31H26GeNO/c1-19-9-5-6-10-22(19)31-33(4)28-16-15-20-13-14-21-17-25-23-11-7-8-12-26(23)32(2,3)27(25)18-24(21)29(20)30(28)34-31/h5-18H,1-4H3/q+1
InChIKeyCCWXORLUADNISV-UHFFFAOYSA-N
XLogP6.34
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.17
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6,22,22-trimethyl-5-(2-methylphenyl)-4-oxa-6-azonia-22-germahexacyclo[11.11.0.02,10.03,7.015,23.016,21]tetracosa-1(24),2(10),3(7),5,8,11,13,15(23),16,18,20-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-(2-methylphenyl)-[1]benzofuro[3,2-g][1,3]benzoxazol-3-ium
CID 169309271
6-methyl-5-(2-methylphenyl)-4,11-dioxa-6-azoniapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),5,8,12,14,16,18-nonaene-9-carbonitrile
CID 176767756
3-methyl-2-(2-methylphenyl)-[1]benzofuro[2,3-d][1,3]oxazol-3-ium
CID 164756828
14-methyl-13-(2-methylphenyl)-17-oxa-14-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 140871315
3-methyl-2-(2,9,9-trimethylfluoren-1-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-3-ium
CID 177124559
20-methyl-21-(6-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-15,22-dioxa-20-azoniahexacyclo[12.10.0.03,12.04,9.016,24.019,23]tetracosa-1(14),2,4,6,8,10,12,16(24),17,19(23),20-undecaene
CID 177124518
ethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran
CID 144645370
16,17-dimethyl-18-(2-methylphenyl)-9-oxa-18-aza-16-azoniapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(20),2(10),3,5,7,11,13,15(19),16-nonaene
CID 176802398
8-N,23-N-bis(5,5-dimethylbenzo[b][1]benzogermol-1-yl)-8-N,23-N-diphenyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-bis(9,9-dimethylfluoren-1-yl)-8-N,23-N-bis(2-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-bis(9,9-dimethylfluoren-2-yl)-8-N,23-N-bis(2-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 161238681
6-(2-methylphenyl)naphthalen-1-ol
CID 71167346
8-methyl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran
CID 130290646
7-(2-methylphenyl)naphtho[1,2-b][1]benzofuran
CID 166938715

Frequently Asked Questions

What is the IUPAC name of 6,22,22-trimethyl-5-(2-methylphenyl)-4-oxa-6-azonia-22-germahexacyclo[11.11.0.02,10.03,7.015,23.016,21]tetracosa-1(24),2(10),3(7),5,8,11,13,15(23),16,18,20-undecaene?
The IUPAC name of 6,22,22-trimethyl-5-(2-methylphenyl)-4-oxa-6-azonia-22-germahexacyclo[11.11.0.02,10.03,7.015,23.016,21]tetracosa-1(24),2(10),3(7),5,8,11,13,15(23),16,18,20-undecaene (CID 177124578) is 6,22,22-trimethyl-5-(2-methylphenyl)-4-oxa-6-azonia-22-germahexacyclo[11.11.0.02,10.03,7.015,23.016,21]tetracosa-1(24),2(10),3(7),5,8,11,13,15(23),16,18,20-undecaene.
What is the SMILES notation for 6,22,22-trimethyl-5-(2-methylphenyl)-4-oxa-6-azonia-22-germahexacyclo[11.11.0.02,10.03,7.015,23.016,21]tetracosa-1(24),2(10),3(7),5,8,11,13,15(23),16,18,20-undecaene?
The canonical SMILES for 6,22,22-trimethyl-5-(2-methylphenyl)-4-oxa-6-azonia-22-germahexacyclo[11.11.0.02,10.03,7.015,23.016,21]tetracosa-1(24),2(10),3(7),5,8,11,13,15(23),16,18,20-undecaene is Cc1ccccc1-c1oc2c3c(ccc4cc5c(cc43)[Ge](C)(C)c3ccccc3-5)ccc2[n+]1C.
What is the InChIKey of 6,22,22-trimethyl-5-(2-methylphenyl)-4-oxa-6-azonia-22-germahexacyclo[11.11.0.02,10.03,7.015,23.016,21]tetracosa-1(24),2(10),3(7),5,8,11,13,15(23),16,18,20-undecaene?
The InChIKey is CCWXORLUADNISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26GeNO/c1-19-9-5-6-10-22(19)31-33(4)28-16-15-20-13-14-21-17-25-23-11-7-8-12-26(23)32(2,3)27(25)18-24(21)29(20)30(28)34-31/h5-18H,1-4H3/q+1.
What are the key properties of 6,22,22-trimethyl-5-(2-methylphenyl)-4-oxa-6-azonia-22-germahexacyclo[11.11.0.02,10.03,7.015,23.016,21]tetracosa-1(24),2(10),3(7),5,8,11,13,15(23),16,18,20-undecaene?
6,22,22-trimethyl-5-(2-methylphenyl)-4-oxa-6-azonia-22-germahexacyclo[11.11.0.02,10.03,7.015,23.016,21]tetracosa-1(24),2(10),3(7),5,8,11,13,15(23),16,18,20-undecaene has a molecular weight of 501.17 g/mol, XLogP of 6.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,22,22-trimethyl-5-(2-methylphenyl)-4-oxa-6-azonia-22-germahexacyclo[11.11.0.02,10.03,7.015,23.016,21]tetracosa-1(24),2(10),3(7),5,8,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 177124578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).