29-phenyl-3-oxa-24-thia-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,15,17(25),18,20,22,26-dodecaene

C32H19NOS — CID 145358238

IUPAC29-phenyl-3-oxa-24-thia-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,15,17(25),18,20,22,26-dodecaene
SMILESc1ccc(-n2c3c4oc5ccccc5c4cc4c3c3c(cc5c6ccccc6sc5c32)CC4)cc1
InChIInChI=1S/C32H19NOS/c1-2-8-20(9-3-1)33-29-27-18(16-23-21-10-4-6-12-25(21)34-31(23)29)14-15-19-17-24-22-11-5-7-13-26(22)35-32(24)30(33)28(19)27/h1-13,16-17H,14-15H2
InChIKeyXQDONXSARLVFEM-UHFFFAOYSA-N
MW465.58 g/mol
LogP9.15
Rot. Bonds1

About 29-phenyl-3-oxa-24-thia-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,15,17(25),18,20,22,26-dodecaene

29-phenyl-3-oxa-24-thia-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,15,17(25),18,20,22,26-dodecaene (PubChem CID 145358238) has the molecular formula C32H19NOS and a molecular weight of 465.58 g/mol. Its IUPAC name is 29-phenyl-3-oxa-24-thia-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,15,17(25),18,20,22,26-dodecaene.

Molecular Properties

Compound Name29-phenyl-3-oxa-24-thia-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,15,17(25),18,20,22,26-dodecaene
PubChem CID145358238
Molecular FormulaC32H19NOS
Molecular Weight465.58 g/mol
Exact Mass465.12
IUPAC Name29-phenyl-3-oxa-24-thia-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,15,17(25),18,20,22,26-dodecaene
SMILESc1ccc(-n2c3c4oc5ccccc5c4cc4c3c3c(cc5c6ccccc6sc5c32)CC4)cc1
InChIInChI=1S/C32H19NOS/c1-2-8-20(9-3-1)33-29-27-18(16-23-21-10-4-6-12-25(21)34-31(23)29)14-15-19-17-24-22-11-5-7-13-26(22)35-32(24)30(33)28(19)27/h1-13,16-17H,14-15H2
InChIKeyXQDONXSARLVFEM-UHFFFAOYSA-N
XLogP9.15
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 29-phenyl-3-oxa-24-thia-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,15,17(25),18,20,22,26-dodecaene with MolForge

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Related Compounds

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3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole
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3-[9-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)carbazol-3-yl]-9-phenylcarbazole
CID 170929980
12,24-dimethyl-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 144723714
8-dibenzofuran-2-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827969
11-phenyl-3,19-dioxa-11-azapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 143805499
24-dibenzothiophen-4-yl-21-phenyl-9-oxa-18-thia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaene
CID 118200890
21-phenyl-24-(9-phenylcarbazol-3-yl)-9-oxa-18-thia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaene
CID 118200889
CID 152782904
CID 152782904
8-(3-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
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9-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]carbazole
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12-phenyl-3-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-9-yl)-[1]benzofuro[2,3-a]carbazole
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Frequently Asked Questions

What is the IUPAC name of 29-phenyl-3-oxa-24-thia-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,15,17(25),18,20,22,26-dodecaene?
The IUPAC name of 29-phenyl-3-oxa-24-thia-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,15,17(25),18,20,22,26-dodecaene (CID 145358238) is 29-phenyl-3-oxa-24-thia-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,15,17(25),18,20,22,26-dodecaene.
What is the SMILES notation for 29-phenyl-3-oxa-24-thia-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,15,17(25),18,20,22,26-dodecaene?
The canonical SMILES for 29-phenyl-3-oxa-24-thia-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,15,17(25),18,20,22,26-dodecaene is c1ccc(-n2c3c4oc5ccccc5c4cc4c3c3c(cc5c6ccccc6sc5c32)CC4)cc1.
What is the InChIKey of 29-phenyl-3-oxa-24-thia-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,15,17(25),18,20,22,26-dodecaene?
The InChIKey is XQDONXSARLVFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NOS/c1-2-8-20(9-3-1)33-29-27-18(16-23-21-10-4-6-12-25(21)34-31(23)29)14-15-19-17-24-22-11-5-7-13-26(22)35-32(24)30(33)28(19)27/h1-13,16-17H,14-15H2.
What are the key properties of 29-phenyl-3-oxa-24-thia-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,15,17(25),18,20,22,26-dodecaene?
29-phenyl-3-oxa-24-thia-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,15,17(25),18,20,22,26-dodecaene has a molecular weight of 465.58 g/mol, XLogP of 9.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 29-phenyl-3-oxa-24-thia-29-azaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,15,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 145358238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).