1-ethyl-12,18,26-tris(naphtho[2,3-b][1]benzofuran-2-yl)-12,18,26-triaza-1-germaheptacyclo[11.11.1.13,23.02,11.04,9.017,25.019,24]hexacosa-2,4,6,8,10,13,15,17(25),19(24),20,22-undecaene

C72H43GeN3O3 — CID 140848683

IUPAC1-ethyl-12,18,26-tris(naphtho[2,3-b][1]benzofuran-2-yl)-12,18,26-triaza-1-germaheptacyclo[11.11.1.13,23.02,11.04,9.017,25.019,24]hexacosa-2,4,6,8,10,13,15,17(25),19(24),20,22-undecaene
SMILESCC[Ge]12c3c4cccc3N(c3ccc5oc6cc7ccccc7cc6c5c3)c3cc5ccccc5c(c31)N(c1ccc3oc5cc6ccccc6cc5c3c1)c1cccc(c12)N4c1ccc2oc3cc4ccccc4cc3c2c1
InChIInChI=1S/C72H43GeN3O3/c1-2-73-69-58-21-11-23-60(69)75(49-26-29-64-56(39-49)53-32-42-14-4-7-17-45(42)36-67(53)78-64)62-34-47-19-9-10-20-51(47)72(71(62)73)76(50-27-30-65-57(40-50)54-33-43-15-5-8-18-46(43)37-68(54)79-65)61-24-12-22-59(70(61)73)74(58)48-25-28-63-55(38-48)52-31-41-13-3-6-16-44(41)35-66(52)77-63/h3-40H,2H2,1H3
InChIKeyASOGDLKKDRJXDZ-UHFFFAOYSA-N
MW1070.76 g/mol
LogP18.84
Rot. Bonds4

About 1-ethyl-12,18,26-tris(naphtho[2,3-b][1]benzofuran-2-yl)-12,18,26-triaza-1-germaheptacyclo[11.11.1.13,23.02,11.04,9.017,25.019,24]hexacosa-2,4,6,8,10,13,15,17(25),19(24),20,22-undecaene

1-ethyl-12,18,26-tris(naphtho[2,3-b][1]benzofuran-2-yl)-12,18,26-triaza-1-germaheptacyclo[11.11.1.13,23.02,11.04,9.017,25.019,24]hexacosa-2,4,6,8,10,13,15,17(25),19(24),20,22-undecaene (PubChem CID 140848683) has the molecular formula C72H43GeN3O3 and a molecular weight of 1070.76 g/mol. Its IUPAC name is 1-ethyl-12,18,26-tris(naphtho[2,3-b][1]benzofuran-2-yl)-12,18,26-triaza-1-germaheptacyclo[11.11.1.13,23.02,11.04,9.017,25.019,24]hexacosa-2,4,6,8,10,13,15,17(25),19(24),20,22-undecaene.

Molecular Properties

Compound Name1-ethyl-12,18,26-tris(naphtho[2,3-b][1]benzofuran-2-yl)-12,18,26-triaza-1-germaheptacyclo[11.11.1.13,23.02,11.04,9.017,25.019,24]hexacosa-2,4,6,8,10,13,15,17(25),19(24),20,22-undecaene
PubChem CID140848683
Molecular FormulaC72H43GeN3O3
Molecular Weight1070.76 g/mol
Exact Mass1071.25
IUPAC Name1-ethyl-12,18,26-tris(naphtho[2,3-b][1]benzofuran-2-yl)-12,18,26-triaza-1-germaheptacyclo[11.11.1.13,23.02,11.04,9.017,25.019,24]hexacosa-2,4,6,8,10,13,15,17(25),19(24),20,22-undecaene
SMILESCC[Ge]12c3c4cccc3N(c3ccc5oc6cc7ccccc7cc6c5c3)c3cc5ccccc5c(c31)N(c1ccc3oc5cc6ccccc6cc5c3c1)c1cccc(c12)N4c1ccc2oc3cc4ccccc4cc3c2c1
InChIInChI=1S/C72H43GeN3O3/c1-2-73-69-58-21-11-23-60(69)75(49-26-29-64-56(39-49)53-32-42-14-4-7-17-45(42)36-67(53)78-64)62-34-47-19-9-10-20-51(47)72(71(62)73)76(50-27-30-65-57(40-50)54-33-43-15-5-8-18-46(43)37-68(54)79-65)61-24-12-22-59(70(61)73)74(58)48-25-28-63-55(38-48)52-31-41-13-3-6-16-44(41)35-66(52)77-63/h3-40H,2H2,1H3
InChIKeyASOGDLKKDRJXDZ-UHFFFAOYSA-N
XLogP18.84
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001070.76
LogP ≤ 518.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-12,18,26-tris(naphtho[2,3-b][1]benzofuran-2-yl)-12,18,26-triaza-1-germaheptacyclo[11.11.1.13,23.02,11.04,9.017,25.019,24]hexacosa-2,4,6,8,10,13,15,17(25),19(24),20,22-undecaene with MolForge

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Related Compounds

8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140849216
10,16-bis(naphtho[2,3-b][1]benzofuran-2-yl)-36-oxa-10,16,41-triaza-3λ5-phosphadodecacyclo[21.18.1.13,11.02,17.04,9.05,41.019,42.024,40.025,37.026,35.028,33.015,43]tritetraconta-1(42),2(17),4(9),5,7,11(43),12,14,18,20,22,24(40),25(37),26,28,30,32,34,38-nonadecaene 3-oxide
CID 134317343
5-methyl-10-[16-(10-methylphenazin-5-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenazine
CID 59146950
9-naphthalen-1-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracene-1,2,3,4,5,6,7,8-octol
CID 160732184
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 146652642
15-dibenzofuran-2-yl-18-naphthalen-1-yl-5-oxa-15-aza-1-boraheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2,4(12),6,8,10,13,16,18,20(27),21,23,25-dodecaene
CID 174007909
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
14-dibenzofuran-2-yl-8-thia-1,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 118443231
N-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 129133956
ethane;naphtho[2,1-b][1]benzofuran;naphtho[2,3-b][1]benzofuran
CID 142369862
5-methyl-10-[18-(10-methylphenazin-5-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]phenazine
CID 59146951
7-dibenzofuran-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651818

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-12,18,26-tris(naphtho[2,3-b][1]benzofuran-2-yl)-12,18,26-triaza-1-germaheptacyclo[11.11.1.13,23.02,11.04,9.017,25.019,24]hexacosa-2,4,6,8,10,13,15,17(25),19(24),20,22-undecaene?
The IUPAC name of 1-ethyl-12,18,26-tris(naphtho[2,3-b][1]benzofuran-2-yl)-12,18,26-triaza-1-germaheptacyclo[11.11.1.13,23.02,11.04,9.017,25.019,24]hexacosa-2,4,6,8,10,13,15,17(25),19(24),20,22-undecaene (CID 140848683) is 1-ethyl-12,18,26-tris(naphtho[2,3-b][1]benzofuran-2-yl)-12,18,26-triaza-1-germaheptacyclo[11.11.1.13,23.02,11.04,9.017,25.019,24]hexacosa-2,4,6,8,10,13,15,17(25),19(24),20,22-undecaene.
What is the SMILES notation for 1-ethyl-12,18,26-tris(naphtho[2,3-b][1]benzofuran-2-yl)-12,18,26-triaza-1-germaheptacyclo[11.11.1.13,23.02,11.04,9.017,25.019,24]hexacosa-2,4,6,8,10,13,15,17(25),19(24),20,22-undecaene?
The canonical SMILES for 1-ethyl-12,18,26-tris(naphtho[2,3-b][1]benzofuran-2-yl)-12,18,26-triaza-1-germaheptacyclo[11.11.1.13,23.02,11.04,9.017,25.019,24]hexacosa-2,4,6,8,10,13,15,17(25),19(24),20,22-undecaene is CC[Ge]12c3c4cccc3N(c3ccc5oc6cc7ccccc7cc6c5c3)c3cc5ccccc5c(c31)N(c1ccc3oc5cc6ccccc6cc5c3c1)c1cccc(c12)N4c1ccc2oc3cc4ccccc4cc3c2c1.
What is the InChIKey of 1-ethyl-12,18,26-tris(naphtho[2,3-b][1]benzofuran-2-yl)-12,18,26-triaza-1-germaheptacyclo[11.11.1.13,23.02,11.04,9.017,25.019,24]hexacosa-2,4,6,8,10,13,15,17(25),19(24),20,22-undecaene?
The InChIKey is ASOGDLKKDRJXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H43GeN3O3/c1-2-73-69-58-21-11-23-60(69)75(49-26-29-64-56(39-49)53-32-42-14-4-7-17-45(42)36-67(53)78-64)62-34-47-19-9-10-20-51(47)72(71(62)73)76(50-27-30-65-57(40-50)54-33-43-15-5-8-18-46(43)37-68(54)79-65)61-24-12-22-59(70(61)73)74(58)48-25-28-63-55(38-48)52-31-41-13-3-6-16-44(41)35-66(52)77-63/h3-40H,2H2,1H3.
What are the key properties of 1-ethyl-12,18,26-tris(naphtho[2,3-b][1]benzofuran-2-yl)-12,18,26-triaza-1-germaheptacyclo[11.11.1.13,23.02,11.04,9.017,25.019,24]hexacosa-2,4,6,8,10,13,15,17(25),19(24),20,22-undecaene?
1-ethyl-12,18,26-tris(naphtho[2,3-b][1]benzofuran-2-yl)-12,18,26-triaza-1-germaheptacyclo[11.11.1.13,23.02,11.04,9.017,25.019,24]hexacosa-2,4,6,8,10,13,15,17(25),19(24),20,22-undecaene has a molecular weight of 1070.76 g/mol, XLogP of 18.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-12,18,26-tris(naphtho[2,3-b][1]benzofuran-2-yl)-12,18,26-triaza-1-germaheptacyclo[11.11.1.13,23.02,11.04,9.017,25.019,24]hexacosa-2,4,6,8,10,13,15,17(25),19(24),20,22-undecaene is sourced from PubChem (CID 140848683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).