15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C132H78N8O3S2 — CID 160755784

IUPAC15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1ccc(-c2cc3ccccc3c3c2oc2ncc(-c4cccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4)nc23)cc1.c1ccc(-c2cc3oc4ncc(-c5cccc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)c5)nc4c3c3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccc(-c3cnc4oc5ccc6ccccc6c5c4n3)c2)cc1
InChIInChI=1S/C44H26N4O.2C44H26N2OS/c1-2-13-29(14-3-1)47-37-19-8-6-17-32(37)34-25-40-35(24-39(34)47)33-18-7-9-20-38(33)48(40)30-15-10-12-28(23-30)36-26-45-44-43(46-36)42-31-16-5-4-11-27(31)21-22-41(42)49-44;1-2-11-27(12-3-1)37-25-39-41(35-19-5-4-17-33(35)37)42-44(47-39)45-26-38(46-42)31-16-9-14-29(24-31)28-13-8-15-30(23-28)32-20-10-21-36-34-18-6-7-22-40(34)48-43(32)36;1-2-11-27(12-3-1)37-25-31-13-4-5-18-33(31)40-41-44(47-42(37)40)45-26-38(46-41)32-17-9-15-29(24-32)28-14-8-16-30(23-28)34-20-10-21-36-35-19-6-7-22-39(35)48-43(34)36/h1-26H;2*1-26H
InChIKeyRXKHROFNSCSYNE-UHFFFAOYSA-N
MW1888.26 g/mol
LogP36.52
Rot. Bonds11

About 15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 160755784) has the molecular formula C132H78N8O3S2 and a molecular weight of 1888.26 g/mol. Its IUPAC name is 15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

Compound Name15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
PubChem CID160755784
Molecular FormulaC132H78N8O3S2
Molecular Weight1888.26 g/mol
Exact Mass1886.56
IUPAC Name15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1ccc(-c2cc3ccccc3c3c2oc2ncc(-c4cccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4)nc23)cc1.c1ccc(-c2cc3oc4ncc(-c5cccc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)c5)nc4c3c3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccc(-c3cnc4oc5ccc6ccccc6c5c4n3)c2)cc1
InChIInChI=1S/C44H26N4O.2C44H26N2OS/c1-2-13-29(14-3-1)47-37-19-8-6-17-32(37)34-25-40-35(24-39(34)47)33-18-7-9-20-38(33)48(40)30-15-10-12-28(23-30)36-26-45-44-43(46-36)42-31-16-5-4-11-27(31)21-22-41(42)49-44;1-2-11-27(12-3-1)37-25-39-41(35-19-5-4-17-33(35)37)42-44(47-39)45-26-38(46-42)31-16-9-14-29(24-31)28-13-8-15-30(23-28)32-20-10-21-36-34-18-6-7-22-40(34)48-43(32)36;1-2-11-27(12-3-1)37-25-31-13-4-5-18-33(31)40-41-44(47-42(37)40)45-26-38(46-41)32-17-9-15-29(24-32)28-14-8-16-30(23-28)34-20-10-21-36-35-19-6-7-22-39(35)48-43(34)36/h1-26H;2*1-26H
InChIKeyRXKHROFNSCSYNE-UHFFFAOYSA-N
XLogP36.52
TPSA126.62 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001888.26
LogP ≤ 536.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene with MolForge

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Related Compounds

4-(5-Methyl-4-octylthiophen-2-yl)-8-[5-(11-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-4-octylthiophen-2-yl]-2,6-dioctylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 88853525
7-Methyl-3-[5-[9-(5-methyl-4-octylthiophen-2-yl)-6,7-dioctyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-4-yl]-3-octylthiophen-2-yl]-[1]benzofuro[3,2-b]pyridine
CID 88853526
8-[3-(3-Dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850008
8-[3-[3-(3-Dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850021
8-[9-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850168
8-[3-[3-[9-[3-([1]Benzothiolo[3,2-b]pyridin-8-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850228
8-[3-[3-[8-[9-[3-([1]Benzothiolo[3,2-b]pyridin-8-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850231
8-[3-[9-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]oxycarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850235
8-[8-[5-([1]Benzothiolo[3,2-b]pyridin-8-yl)pyrido[3,2-b]indol-8-yl]oxypyrido[3,2-b]indol-5-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850240
8-[3-[3-[8-[3-[3-([1]Benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90084677
8-[3-[3-([1]Benzofuro[2,3-b]pyridin-6-yl)phenyl]phenyl]-2-(3-dibenzothiophen-2-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 90265719
N-[3-[6-carbazol-9-yl-9-(6-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)carbazol-3-yl]phenyl]-N,8-diphenyl-[1]benzothiolo[3,2-c]pyridin-4-amine
CID 91062290

Frequently Asked Questions

What is the IUPAC name of 15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The IUPAC name of 15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 160755784) is 15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.
What is the SMILES notation for 15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The canonical SMILES for 15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1ccc(-c2cc3ccccc3c3c2oc2ncc(-c4cccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4)nc23)cc1.c1ccc(-c2cc3oc4ncc(-c5cccc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)c5)nc4c3c3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccc(-c3cnc4oc5ccc6ccccc6c5c4n3)c2)cc1.
What is the InChIKey of 15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The InChIKey is RXKHROFNSCSYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O.2C44H26N2OS/c1-2-13-29(14-3-1)47-37-19-8-6-17-32(37)34-25-40-35(24-39(34)47)33-18-7-9-20-38(33)48(40)30-15-10-12-28(23-30)36-26-45-44-43(46-36)42-31-16-5-4-11-27(31)21-22-41(42)49-44;1-2-11-27(12-3-1)37-25-39-41(35-19-5-4-17-33(35)37)42-44(47-39)45-26-38(46-42)31-16-9-14-29(24-31)28-13-8-15-30(23-28)32-20-10-21-36-34-18-6-7-22-40(34)48-43(32)36;1-2-11-27(12-3-1)37-25-31-13-4-5-18-33(31)40-41-44(47-42(37)40)45-26-38(46-41)32-17-9-15-29(24-32)28-14-8-16-30(23-28)34-20-10-21-36-35-19-6-7-22-39(35)48-43(34)36/h1-26H;2*1-26H.
What are the key properties of 15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 1888.26 g/mol, XLogP of 36.52, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 160755784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).