33-(4-dibenzofuran-4-ylphenyl)-15,27,27-trimethyl-4-oxa-33-azadecacyclo[32.2.2.122,26.125,28.02,14.03,11.05,10.015,23.016,21.032,39]tetraconta-1(36),2(14),3(11),5,7,9,12,16,18,20,22(40),23,25,28(39),29,31,34,37-octadecaene

C59H39NO2 — CID 155095530

IUPAC33-(4-dibenzofuran-4-ylphenyl)-15,27,27-trimethyl-4-oxa-33-azadecacyclo[32.2.2.122,26.125,28.02,14.03,11.05,10.015,23.016,21.032,39]tetraconta-1(36),2(14),3(11),5,7,9,12,16,18,20,22(40),23,25,28(39),29,31,34,37-octadecaene
SMILESCC1(C)c2cc3c4cc2-c2c(cccc21)N(c1ccc(-c2cccc5c2oc2ccccc25)cc1)c1ccc(cc1)-c1c(ccc2c1oc1ccccc12)C4(C)c1ccccc1-3
InChIInChI=1S/C59H39NO2/c1-58(2)47-18-11-19-51-55(47)45-33-50-44(32-49(45)58)39-12-4-7-17-46(39)59(50,3)48-31-30-43-41-14-6-9-21-53(41)62-57(43)54(48)35-24-28-37(29-25-35)60(51)36-26-22-34(23-27-36)38-15-10-16-42-40-13-5-8-20-52(40)61-56(38)42/h4-33H,1-3H3
InChIKeyGRWQDFSTFOPZST-UHFFFAOYSA-N
MW793.97 g/mol
LogP16.24
Rot. Bonds2

About 33-(4-dibenzofuran-4-ylphenyl)-15,27,27-trimethyl-4-oxa-33-azadecacyclo[32.2.2.122,26.125,28.02,14.03,11.05,10.015,23.016,21.032,39]tetraconta-1(36),2(14),3(11),5,7,9,12,16,18,20,22(40),23,25,28(39),29,31,34,37-octadecaene

33-(4-dibenzofuran-4-ylphenyl)-15,27,27-trimethyl-4-oxa-33-azadecacyclo[32.2.2.122,26.125,28.02,14.03,11.05,10.015,23.016,21.032,39]tetraconta-1(36),2(14),3(11),5,7,9,12,16,18,20,22(40),23,25,28(39),29,31,34,37-octadecaene (PubChem CID 155095530) has the molecular formula C59H39NO2 and a molecular weight of 793.97 g/mol. Its IUPAC name is 33-(4-dibenzofuran-4-ylphenyl)-15,27,27-trimethyl-4-oxa-33-azadecacyclo[32.2.2.122,26.125,28.02,14.03,11.05,10.015,23.016,21.032,39]tetraconta-1(36),2(14),3(11),5,7,9,12,16,18,20,22(40),23,25,28(39),29,31,34,37-octadecaene.

Molecular Properties

Compound Name33-(4-dibenzofuran-4-ylphenyl)-15,27,27-trimethyl-4-oxa-33-azadecacyclo[32.2.2.122,26.125,28.02,14.03,11.05,10.015,23.016,21.032,39]tetraconta-1(36),2(14),3(11),5,7,9,12,16,18,20,22(40),23,25,28(39),29,31,34,37-octadecaene
PubChem CID155095530
Molecular FormulaC59H39NO2
Molecular Weight793.97 g/mol
Exact Mass793.30
IUPAC Name33-(4-dibenzofuran-4-ylphenyl)-15,27,27-trimethyl-4-oxa-33-azadecacyclo[32.2.2.122,26.125,28.02,14.03,11.05,10.015,23.016,21.032,39]tetraconta-1(36),2(14),3(11),5,7,9,12,16,18,20,22(40),23,25,28(39),29,31,34,37-octadecaene
SMILESCC1(C)c2cc3c4cc2-c2c(cccc21)N(c1ccc(-c2cccc5c2oc2ccccc25)cc1)c1ccc(cc1)-c1c(ccc2c1oc1ccccc12)C4(C)c1ccccc1-3
InChIInChI=1S/C59H39NO2/c1-58(2)47-18-11-19-51-55(47)45-33-50-44(32-49(45)58)39-12-4-7-17-46(39)59(50,3)48-31-30-43-41-14-6-9-21-53(41)62-57(43)54(48)35-24-28-37(29-25-35)60(51)36-26-22-34(23-27-36)38-15-10-16-42-40-13-5-8-20-52(40)61-56(38)42/h4-33H,1-3H3
InChIKeyGRWQDFSTFOPZST-UHFFFAOYSA-N
XLogP16.24
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.97
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 33-(4-dibenzofuran-4-ylphenyl)-15,27,27-trimethyl-4-oxa-33-azadecacyclo[32.2.2.122,26.125,28.02,14.03,11.05,10.015,23.016,21.032,39]tetraconta-1(36),2(14),3(11),5,7,9,12,16,18,20,22(40),23,25,28(39),29,31,34,37-octadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 33-(4-dibenzofuran-4-ylphenyl)-15,27,27-trimethyl-4-oxa-33-azadecacyclo[32.2.2.122,26.125,28.02,14.03,11.05,10.015,23.016,21.032,39]tetraconta-1(36),2(14),3(11),5,7,9,12,16,18,20,22(40),23,25,28(39),29,31,34,37-octadecaene?
The IUPAC name of 33-(4-dibenzofuran-4-ylphenyl)-15,27,27-trimethyl-4-oxa-33-azadecacyclo[32.2.2.122,26.125,28.02,14.03,11.05,10.015,23.016,21.032,39]tetraconta-1(36),2(14),3(11),5,7,9,12,16,18,20,22(40),23,25,28(39),29,31,34,37-octadecaene (CID 155095530) is 33-(4-dibenzofuran-4-ylphenyl)-15,27,27-trimethyl-4-oxa-33-azadecacyclo[32.2.2.122,26.125,28.02,14.03,11.05,10.015,23.016,21.032,39]tetraconta-1(36),2(14),3(11),5,7,9,12,16,18,20,22(40),23,25,28(39),29,31,34,37-octadecaene.
What is the SMILES notation for 33-(4-dibenzofuran-4-ylphenyl)-15,27,27-trimethyl-4-oxa-33-azadecacyclo[32.2.2.122,26.125,28.02,14.03,11.05,10.015,23.016,21.032,39]tetraconta-1(36),2(14),3(11),5,7,9,12,16,18,20,22(40),23,25,28(39),29,31,34,37-octadecaene?
The canonical SMILES for 33-(4-dibenzofuran-4-ylphenyl)-15,27,27-trimethyl-4-oxa-33-azadecacyclo[32.2.2.122,26.125,28.02,14.03,11.05,10.015,23.016,21.032,39]tetraconta-1(36),2(14),3(11),5,7,9,12,16,18,20,22(40),23,25,28(39),29,31,34,37-octadecaene is CC1(C)c2cc3c4cc2-c2c(cccc21)N(c1ccc(-c2cccc5c2oc2ccccc25)cc1)c1ccc(cc1)-c1c(ccc2c1oc1ccccc12)C4(C)c1ccccc1-3.
What is the InChIKey of 33-(4-dibenzofuran-4-ylphenyl)-15,27,27-trimethyl-4-oxa-33-azadecacyclo[32.2.2.122,26.125,28.02,14.03,11.05,10.015,23.016,21.032,39]tetraconta-1(36),2(14),3(11),5,7,9,12,16,18,20,22(40),23,25,28(39),29,31,34,37-octadecaene?
The InChIKey is GRWQDFSTFOPZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NO2/c1-58(2)47-18-11-19-51-55(47)45-33-50-44(32-49(45)58)39-12-4-7-17-46(39)59(50,3)48-31-30-43-41-14-6-9-21-53(41)62-57(43)54(48)35-24-28-37(29-25-35)60(51)36-26-22-34(23-27-36)38-15-10-16-42-40-13-5-8-20-52(40)61-56(38)42/h4-33H,1-3H3.
What are the key properties of 33-(4-dibenzofuran-4-ylphenyl)-15,27,27-trimethyl-4-oxa-33-azadecacyclo[32.2.2.122,26.125,28.02,14.03,11.05,10.015,23.016,21.032,39]tetraconta-1(36),2(14),3(11),5,7,9,12,16,18,20,22(40),23,25,28(39),29,31,34,37-octadecaene?
33-(4-dibenzofuran-4-ylphenyl)-15,27,27-trimethyl-4-oxa-33-azadecacyclo[32.2.2.122,26.125,28.02,14.03,11.05,10.015,23.016,21.032,39]tetraconta-1(36),2(14),3(11),5,7,9,12,16,18,20,22(40),23,25,28(39),29,31,34,37-octadecaene has a molecular weight of 793.97 g/mol, XLogP of 16.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 33-(4-dibenzofuran-4-ylphenyl)-15,27,27-trimethyl-4-oxa-33-azadecacyclo[32.2.2.122,26.125,28.02,14.03,11.05,10.015,23.016,21.032,39]tetraconta-1(36),2(14),3(11),5,7,9,12,16,18,20,22(40),23,25,28(39),29,31,34,37-octadecaene is sourced from PubChem (CID 155095530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).