trimethyl-[2-(5,15,21-trioxa-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaen-7-yl)-4-pyridinyl]germane

C32H24BGeNO3 — CID 176802119

IUPACtrimethyl-[2-(5,15,21-trioxa-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaen-7-yl)-4-pyridinyl]germane
SMILESC[Ge](C)(C)c1ccnc(-c2cccc3c2oc2cc4c(cc23)Oc2cccc3c2B4c2ccccc2O3)c1
InChIInChI=1S/C32H24BGeNO3/c1-34(2,3)19-14-15-35-25(16-19)21-9-6-8-20-22-17-30-24(18-29(22)38-32(20)21)33-23-10-4-5-11-26(23)36-27-12-7-13-28(37-30)31(27)33/h4-18H,1-3H3
InChIKeyAATBCPARGBJHTN-UHFFFAOYSA-N
MW553.97 g/mol
LogP5.92
Rot. Bonds2

About trimethyl-[2-(5,15,21-trioxa-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaen-7-yl)-4-pyridinyl]germane

trimethyl-[2-(5,15,21-trioxa-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaen-7-yl)-4-pyridinyl]germane (PubChem CID 176802119) has the molecular formula C32H24BGeNO3 and a molecular weight of 553.97 g/mol. Its IUPAC name is trimethyl-[2-(5,15,21-trioxa-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaen-7-yl)-4-pyridinyl]germane.

Molecular Properties

Compound Nametrimethyl-[2-(5,15,21-trioxa-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaen-7-yl)-4-pyridinyl]germane
PubChem CID176802119
Molecular FormulaC32H24BGeNO3
Molecular Weight553.97 g/mol
Exact Mass555.11
IUPAC Nametrimethyl-[2-(5,15,21-trioxa-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaen-7-yl)-4-pyridinyl]germane
SMILESC[Ge](C)(C)c1ccnc(-c2cccc3c2oc2cc4c(cc23)Oc2cccc3c2B4c2ccccc2O3)c1
InChIInChI=1S/C32H24BGeNO3/c1-34(2,3)19-14-15-35-25(16-19)21-9-6-8-20-22-17-30-24(18-29(22)38-32(20)21)33-23-10-4-5-11-26(23)36-27-12-7-13-28(37-30)31(27)33/h4-18H,1-3H3
InChIKeyAATBCPARGBJHTN-UHFFFAOYSA-N
XLogP5.92
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.97
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trimethyl-[2-(5,15,21-trioxa-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaen-7-yl)-4-pyridinyl]germane with MolForge

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Related Compounds

trimethyl-[6-(5,15,21-trioxa-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaen-7-yl)-3-pyridinyl]germane
CID 176802081
4-tert-butyl-2-[14-(2,4,6-trimethylphenyl)-10,21-dioxa-14-borapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl]pyridine
CID 169301862
7-pyridin-2-yl-5,15,21-trioxa-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaene-18-carbonitrile
CID 176802162
11-dibenzofuran-4-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140684270
15,21,34,40-tetraoxa-1,8-diboradodecacyclo[33.11.1.18,16.02,33.04,31.05,24.07,22.09,14.025,30.039,47.041,46.020,48]octatetraconta-2,4(31),5(24),6,9,11,13,16(48),17,19,22,25,27,29,32,35,37,39(47),41,43,45-henicosaene
CID 163600855
CID 176802088
CID 176802088
12,18,22,28-tetraoxa-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene
CID 123714623
12,18,22,28,32,38-hexaoxa-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23(49),24,26,29(48),30,33,35,37(50),39,41,43,46-henicosaene
CID 162713674
4-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 154591011
15-N,25-N-bis(2,6-dipyridin-2-ylphenyl)-15-N,25-N-diphenyl-12,18,22,28-tetraoxa-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
CID 166011329
2-[9-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 163888577
8-(4-trimethylgermyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine-2-carbonitrile
CID 170521520

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(5,15,21-trioxa-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaen-7-yl)-4-pyridinyl]germane?
The IUPAC name of trimethyl-[2-(5,15,21-trioxa-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaen-7-yl)-4-pyridinyl]germane (CID 176802119) is trimethyl-[2-(5,15,21-trioxa-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaen-7-yl)-4-pyridinyl]germane.
What is the SMILES notation for trimethyl-[2-(5,15,21-trioxa-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaen-7-yl)-4-pyridinyl]germane?
The canonical SMILES for trimethyl-[2-(5,15,21-trioxa-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaen-7-yl)-4-pyridinyl]germane is C[Ge](C)(C)c1ccnc(-c2cccc3c2oc2cc4c(cc23)Oc2cccc3c2B4c2ccccc2O3)c1.
What is the InChIKey of trimethyl-[2-(5,15,21-trioxa-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaen-7-yl)-4-pyridinyl]germane?
The InChIKey is AATBCPARGBJHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24BGeNO3/c1-34(2,3)19-14-15-35-25(16-19)21-9-6-8-20-22-17-30-24(18-29(22)38-32(20)21)33-23-10-4-5-11-26(23)36-27-12-7-13-28(37-30)31(27)33/h4-18H,1-3H3.
What are the key properties of trimethyl-[2-(5,15,21-trioxa-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaen-7-yl)-4-pyridinyl]germane?
trimethyl-[2-(5,15,21-trioxa-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaen-7-yl)-4-pyridinyl]germane has a molecular weight of 553.97 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(5,15,21-trioxa-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6(11),7,9,13,16,18,20(28),22,24,26-dodecaen-7-yl)-4-pyridinyl]germane is sourced from PubChem (CID 176802119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).