9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzogermol-4-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine

C66H48Ge2N2O2 — CID 155644830

IUPAC9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzogermol-4-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
SMILESC[Ge]1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)oc3cc4c(cc35)oc3cc5cc(N(c6ccccc6)c6cccc7c6[Ge](C)(C)c6ccccc6-7)ccc5cc34)c21
InChIInChI=1S/C66H48Ge2N2O2/c1-67(2)57-25-13-11-21-49(57)51-23-15-27-59(65(51)67)69(45-17-7-5-8-18-45)47-31-29-41-35-53-55-39-64-56(40-63(55)71-61(53)37-43(41)33-47)54-36-42-30-32-48(34-44(42)38-62(54)72-64)70(46-19-9-6-10-20-46)60-28-16-24-52-50-22-12-14-26-58(50)68(3,4)66(52)60/h5-40H,1-4H3
InChIKeyQEGBBGVFRGJFCK-UHFFFAOYSA-N
MW1046.34 g/mol
LogP16.34
Rot. Bonds6

About 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzogermol-4-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine

9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzogermol-4-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine (PubChem CID 155644830) has the molecular formula C66H48Ge2N2O2 and a molecular weight of 1046.34 g/mol. Its IUPAC name is 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzogermol-4-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine.

Molecular Properties

Compound Name9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzogermol-4-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
PubChem CID155644830
Molecular FormulaC66H48Ge2N2O2
Molecular Weight1046.34 g/mol
Exact Mass1048.21
IUPAC Name9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzogermol-4-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
SMILESC[Ge]1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)oc3cc4c(cc35)oc3cc5cc(N(c6ccccc6)c6cccc7c6[Ge](C)(C)c6ccccc6-7)ccc5cc34)c21
InChIInChI=1S/C66H48Ge2N2O2/c1-67(2)57-25-13-11-21-49(57)51-23-15-27-59(65(51)67)69(45-17-7-5-8-18-45)47-31-29-41-35-53-55-39-64-56(40-63(55)71-61(53)37-43(41)33-47)54-36-42-30-32-48(34-44(42)38-62(54)72-64)70(46-19-9-6-10-20-46)60-28-16-24-52-50-22-12-14-26-58(50)68(3,4)66(52)60/h5-40H,1-4H3
InChIKeyQEGBBGVFRGJFCK-UHFFFAOYSA-N
XLogP16.34
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001046.34
LogP ≤ 516.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzogermol-4-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine with MolForge

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Related Compounds

9-N,23-N-diphenyl-9-N,23-N-bis(2-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155361206
9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155362515
9-N,23-N-bis(9,9-dimethylfluoren-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155359655
9-N,23-N-di(dibenzofuran-1-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155361145
2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine
CID 139573022
7-N,17-N,17-N-tris(2-phenylphenyl)-7-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753210
17-N-(4-tert-butylphenyl)-17-N-[2-(4-tert-butylphenyl)phenyl]-7-N-phenyl-7-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753249
17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-diphenyl-7-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753193
9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155644721
2-(N-[23-(N-(2-cyanophenyl)anilino)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-9-yl]anilino)benzonitrile
CID 155360200
9-N,25-N-di(dibenzofuran-4-yl)-9-N,25-N-diphenyl-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine
CID 146497471
8-N,23-N-dinaphthalen-1-yl-8-N,23-N-diphenyl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155360628

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzogermol-4-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?
The IUPAC name of 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzogermol-4-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine (CID 155644830) is 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzogermol-4-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine.
What is the SMILES notation for 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzogermol-4-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?
The canonical SMILES for 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzogermol-4-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine is C[Ge]1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)oc3cc4c(cc35)oc3cc5cc(N(c6ccccc6)c6cccc7c6[Ge](C)(C)c6ccccc6-7)ccc5cc34)c21.
What is the InChIKey of 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzogermol-4-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?
The InChIKey is QEGBBGVFRGJFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48Ge2N2O2/c1-67(2)57-25-13-11-21-49(57)51-23-15-27-59(65(51)67)69(45-17-7-5-8-18-45)47-31-29-41-35-53-55-39-64-56(40-63(55)71-61(53)37-43(41)33-47)54-36-42-30-32-48(34-44(42)38-62(54)72-64)70(46-19-9-6-10-20-46)60-28-16-24-52-50-22-12-14-26-58(50)68(3,4)66(52)60/h5-40H,1-4H3.
What are the key properties of 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzogermol-4-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?
9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzogermol-4-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine has a molecular weight of 1046.34 g/mol, XLogP of 16.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,23-N-bis(5,5-dimethylbenzo[b][1]benzogermol-4-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine is sourced from PubChem (CID 155644830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).