19,25-di(carbazol-9-yl)-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-germaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene

C55H33GeN3O3 — CID 140848974

IUPAC19,25-di(carbazol-9-yl)-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-germaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene
SMILESCc1ccc2c(c1)Oc1ccc3c4c1N2c1cc(-n2c5ccccc5c5ccccc52)cc2c1[Ge]4(c1ccccc1)c1c(cc(-n4c5ccccc5c5ccccc54)cc1O3)O2
InChIInChI=1S/C55H33GeN3O3/c1-32-23-24-44-48(27-32)61-47-26-25-46-54-55(47)59(44)45-28-34(57-40-19-9-5-15-36(40)37-16-6-10-20-41(37)57)29-49-52(45)56(54,33-13-3-2-4-14-33)53-50(60-46)30-35(31-51(53)62-49)58-42-21-11-7-17-38(42)39-18-8-12-22-43(39)58/h2-31H,1H3
InChIKeyUKTIXWCDZSFALY-UHFFFAOYSA-N
MW856.50 g/mol
LogP11.67
Rot. Bonds3

About 19,25-di(carbazol-9-yl)-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-germaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene

19,25-di(carbazol-9-yl)-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-germaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene (PubChem CID 140848974) has the molecular formula C55H33GeN3O3 and a molecular weight of 856.50 g/mol. Its IUPAC name is 19,25-di(carbazol-9-yl)-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-germaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene.

Molecular Properties

Compound Name19,25-di(carbazol-9-yl)-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-germaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene
PubChem CID140848974
Molecular FormulaC55H33GeN3O3
Molecular Weight856.50 g/mol
Exact Mass857.17
IUPAC Name19,25-di(carbazol-9-yl)-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-germaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene
SMILESCc1ccc2c(c1)Oc1ccc3c4c1N2c1cc(-n2c5ccccc5c5ccccc52)cc2c1[Ge]4(c1ccccc1)c1c(cc(-n4c5ccccc5c5ccccc54)cc1O3)O2
InChIInChI=1S/C55H33GeN3O3/c1-32-23-24-44-48(27-32)61-47-26-25-46-54-55(47)59(44)45-28-34(57-40-19-9-5-15-36(40)37-16-6-10-20-41(37)57)29-49-52(45)56(54,33-13-3-2-4-14-33)53-50(60-46)30-35(31-51(53)62-49)58-42-21-11-7-17-38(42)39-18-8-12-22-43(39)58/h2-31H,1H3
InChIKeyUKTIXWCDZSFALY-UHFFFAOYSA-N
XLogP11.67
TPSA40.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.50
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 19,25-di(carbazol-9-yl)-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-germaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene with MolForge

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Related Compounds

4,41-dimethyl-9,18,24,27,31,48,50,52-octakis-phenyl-9,18,24,27,31,48,50,52-octaza-4,41-digermapentadecacyclo[24.22.1.12,6.14,19.139,43.03,25.05,17.08,16.010,15.028,40.030,38.032,37.041,49.042,47.023,51]dopentaconta-1,3(25),5,7,10,12,14,16,19(51),20,22,26(49),28(40),29,32,34,36,38,42,44,46-henicosaene;3,18,25,28,43,50-hexakis-phenyl-8,33-dioxa-3,15,25,28,40,50-hexaza-18,43-digermapentadecacyclo[25.23.1.12,18.04,17.07,16.09,14.015,20.019,24.029,42.032,41.034,39.040,45.043,51.044,49.026,52]dopentaconta-1,4(17),5,7(16),9,11,13,19(24),20,22,26(52),27(51),29(42),30,32(41),34,36,38,44(49),45,47-henicosaene;4,17,20,27,34,38-hexakis-phenyl-11,36-dioxa-17,20,34,38-tetraza-4,27-digermaundecacyclo[17.15.1.12,6.14,12.125,29.03,18.05,10.021,26.027,35.028,33.016,37]octatriaconta-1,3(18),5,7,9,12,14,16(37),19(35),21(26),22,24,28(33),29,31-pentadecaene
CID 159675025
3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
CID 163970379
3,7-dimethyl-10-(9-methylcarbazol-3-yl)phenoxazine
CID 158231625
5,11,17-tri(carbazol-9-yl)-22-(4-methylphenyl)-1-phenyl-8,14-dioxa-22-aza-1-stannahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 154595318
8,12,18,22,29-pentamethyl-1-phenyl-15-oxa-4,26-diaza-1-germadecacyclo[17.13.2.02,14.03,11.04,31.05,10.016,33.020,25.026,34.027,32]tetratriaconta-2(14),3(11),5(10),6,8,12,16(33),17,19(34),20(25),21,23,27(32),28,30-pentadecaene
CID 140848989
5,11,17-trimethyl-1-phenyl-14,22-bis(9,9'-spirobi[fluorene]-2-yl)-8-oxa-14,22-diaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 140849371
11-[3-[9-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 158285187
3,7-dimethyl-10-(2-phenylphenyl)phenoxazine
CID 59573736
2,8-di(carbazol-9-yl)-10-phenylphenoxazine
CID 126612244
19-(9a-methyl-4aH-carbazol-9-yl)-25-carbazol-9-yl-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-silaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene
CID 163777928
4,17-dimethyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 163572005
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CID 130351981

Frequently Asked Questions

What is the IUPAC name of 19,25-di(carbazol-9-yl)-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-germaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene?
The IUPAC name of 19,25-di(carbazol-9-yl)-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-germaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene (CID 140848974) is 19,25-di(carbazol-9-yl)-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-germaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene.
What is the SMILES notation for 19,25-di(carbazol-9-yl)-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-germaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene?
The canonical SMILES for 19,25-di(carbazol-9-yl)-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-germaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene is Cc1ccc2c(c1)Oc1ccc3c4c1N2c1cc(-n2c5ccccc5c5ccccc52)cc2c1[Ge]4(c1ccccc1)c1c(cc(-n4c5ccccc5c5ccccc54)cc1O3)O2.
What is the InChIKey of 19,25-di(carbazol-9-yl)-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-germaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene?
The InChIKey is UKTIXWCDZSFALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33GeN3O3/c1-32-23-24-44-48(27-32)61-47-26-25-46-54-55(47)59(44)45-28-34(57-40-19-9-5-15-36(40)37-16-6-10-20-41(37)57)29-49-52(45)56(54,33-13-3-2-4-14-33)53-50(60-46)30-35(31-51(53)62-49)58-42-21-11-7-17-38(42)39-18-8-12-22-43(39)58/h2-31H,1H3.
What are the key properties of 19,25-di(carbazol-9-yl)-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-germaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene?
19,25-di(carbazol-9-yl)-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-germaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene has a molecular weight of 856.50 g/mol, XLogP of 11.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 19,25-di(carbazol-9-yl)-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-germaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene is sourced from PubChem (CID 140848974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).