13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

C126H74N8O3S2 — CID 160637732

IUPAC13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESc1cc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc(-c2cnc3oc4c5ccccc5ccc4c3n2)c1.c1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2cnc3oc4c5ccccc5ccc4c3n2)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7cnc8oc9cc%10ccccc%10cc9c8n7)c6)c5c4)ccc32)cc1
InChIInChI=1S/C50H30N4O.2C38H22N2OS/c1-2-14-36(15-3-1)53-45-20-9-7-18-39(45)41-26-33(22-24-46(41)53)34-21-23-40-38-17-6-8-19-44(38)54(47(40)28-34)37-16-10-13-35(25-37)43-30-51-50-49(52-43)42-27-31-11-4-5-12-32(31)29-48(42)55-50;1-2-13-28-23(8-1)18-19-32-35-38(41-36(28)32)39-22-33(40-35)27-12-6-10-25(21-27)24-9-5-11-26(20-24)29-15-7-16-31-30-14-3-4-17-34(30)42-37(29)31;1-2-10-28-24(7-1)19-20-32-35-38(41-36(28)32)39-22-33(40-35)27-9-5-8-26(21-27)23-15-17-25(18-16-23)29-12-6-13-31-30-11-3-4-14-34(30)42-37(29)31/h1-30H;2*1-22H
InChIKeyRITKQRUATPKKKG-UHFFFAOYSA-N
MW1812.16 g/mol
LogP34.85
Rot. Bonds10

About 13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 160637732) has the molecular formula C126H74N8O3S2 and a molecular weight of 1812.16 g/mol. Its IUPAC name is 13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID160637732
Molecular FormulaC126H74N8O3S2
Molecular Weight1812.16 g/mol
Exact Mass1810.53
IUPAC Name13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESc1cc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc(-c2cnc3oc4c5ccccc5ccc4c3n2)c1.c1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2cnc3oc4c5ccccc5ccc4c3n2)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7cnc8oc9cc%10ccccc%10cc9c8n7)c6)c5c4)ccc32)cc1
InChIInChI=1S/C50H30N4O.2C38H22N2OS/c1-2-14-36(15-3-1)53-45-20-9-7-18-39(45)41-26-33(22-24-46(41)53)34-21-23-40-38-17-6-8-19-44(38)54(47(40)28-34)37-16-10-13-35(25-37)43-30-51-50-49(52-43)42-27-31-11-4-5-12-32(31)29-48(42)55-50;1-2-13-28-23(8-1)18-19-32-35-38(41-36(28)32)39-22-33(40-35)27-12-6-10-25(21-27)24-9-5-11-26(20-24)29-15-7-16-31-30-14-3-4-17-34(30)42-37(29)31;1-2-10-28-24(7-1)19-20-32-35-38(41-36(28)32)39-22-33(40-35)27-9-5-8-26(21-27)23-15-17-25(18-16-23)29-12-6-13-31-30-11-3-4-14-34(30)42-37(29)31/h1-30H;2*1-22H
InChIKeyRITKQRUATPKKKG-UHFFFAOYSA-N
XLogP34.85
TPSA126.62 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001812.16
LogP ≤ 534.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene with MolForge

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Related Compounds

20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
7-[5-(2,3,5,6-Tetrafluoro-4-pyridinyl)-1,3-thiazol-2-yl]-17-[2-(2,3,5-trifluoro-4-pyridinyl)-1,3-thiazol-5-yl]-6,16-dioxa-8,18-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3,5(9),7,10,12,14,17,19-nonaene
CID 169314307
2-[3-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-7-(1H-inden-1-yl)-4-(1H-indol-2-yl)quinolin-6-yl]-1,3-oxazole
CID 53651180
6-[4-[3-(8-Carbazol-9-yldibenzofuran-4-yl)carbazol-9-yl]-8-(8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)dibenzofuran-2-yl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58099555
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
8-(8-Dibenzothiophen-2-ylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridine
CID 89850005
8-[3-(3-Dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850008
8-[3-(6-Dibenzothiophen-4-yl-2-pyridinyl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850020
8-[3-[3-(3-Dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850021
8-[3-(8-Dibenzothiophen-2-yldibenzofuran-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850025
8-[3-[3-[8-[9-[3-([1]Benzofuro[3,2-b]pyridin-8-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850066
8-[3-[3-[8-[9-[3-(5-Phenylpyrido[3,2-b]indol-8-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850134

Frequently Asked Questions

What is the IUPAC name of 13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of 13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (CID 160637732) is 13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for 13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is c1cc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc(-c2cnc3oc4c5ccccc5ccc4c3n2)c1.c1cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)cc(-c2cnc3oc4c5ccccc5ccc4c3n2)c1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7cnc8oc9cc%10ccccc%10cc9c8n7)c6)c5c4)ccc32)cc1.
What is the InChIKey of 13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is RITKQRUATPKKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O.2C38H22N2OS/c1-2-14-36(15-3-1)53-45-20-9-7-18-39(45)41-26-33(22-24-46(41)53)34-21-23-40-38-17-6-8-19-44(38)54(47(40)28-34)37-16-10-13-35(25-37)43-30-51-50-49(52-43)42-27-31-11-4-5-12-32(31)29-48(42)55-50;1-2-13-28-23(8-1)18-19-32-35-38(41-36(28)32)39-22-33(40-35)27-12-6-10-25(21-27)24-9-5-11-26(20-24)29-15-7-16-31-30-14-3-4-17-34(30)42-37(29)31;1-2-10-28-24(7-1)19-20-32-35-38(41-36(28)32)39-22-33(40-35)27-9-5-8-26(21-27)23-15-17-25(18-16-23)29-12-6-13-31-30-11-3-4-14-34(30)42-37(29)31/h1-30H;2*1-22H.
What are the key properties of 13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 1812.16 g/mol, XLogP of 34.85, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;13-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-17-oxa-12,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 160637732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).