8-[3-[6-[3-[9-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]phenyl]dibenzofuran-4-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C56H32N6OS — CID 143802443

IUPAC8-[3-[6-[3-[9-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]phenyl]dibenzofuran-4-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc(-c2cccc3c2oc2c(-c4cccc(-n5c6cnccc6c6ccncc65)c4)cccc23)cc(-c2cccc3c2sc2cccc(-n4c5ccncc5c5cnccc54)c23)c1
InChIInChI=1S/C56H32N6OS/c1-7-33(27-34(8-1)39-13-5-16-44-53-49(17-6-18-52(53)64-56(39)44)62-47-21-25-57-29-45(47)46-30-58-26-22-48(46)62)37-11-3-14-42-43-15-4-12-38(55(43)63-54(37)42)35-9-2-10-36(28-35)61-50-31-59-23-19-40(50)41-20-24-60-32-51(41)61/h1-32H
InChIKeyIYTAMAULYHKCHW-UHFFFAOYSA-N
MW836.98 g/mol
LogP14.73
Rot. Bonds5

About 8-[3-[6-[3-[9-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]phenyl]dibenzofuran-4-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[3-[6-[3-[9-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]phenyl]dibenzofuran-4-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 143802443) has the molecular formula C56H32N6OS and a molecular weight of 836.98 g/mol. Its IUPAC name is 8-[3-[6-[3-[9-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]phenyl]dibenzofuran-4-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[3-[6-[3-[9-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]phenyl]dibenzofuran-4-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID143802443
Molecular FormulaC56H32N6OS
Molecular Weight836.98 g/mol
Exact Mass836.24
IUPAC Name8-[3-[6-[3-[9-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]phenyl]dibenzofuran-4-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc(-c2cccc3c2oc2c(-c4cccc(-n5c6cnccc6c6ccncc65)c4)cccc23)cc(-c2cccc3c2sc2cccc(-n4c5ccncc5c5cnccc54)c23)c1
InChIInChI=1S/C56H32N6OS/c1-7-33(27-34(8-1)39-13-5-16-44-53-49(17-6-18-52(53)64-56(39)44)62-47-21-25-57-29-45(47)46-30-58-26-22-48(46)62)37-11-3-14-42-43-15-4-12-38(55(43)63-54(37)42)35-9-2-10-36(28-35)61-50-31-59-23-19-40(50)41-20-24-60-32-51(41)61/h1-32H
InChIKeyIYTAMAULYHKCHW-UHFFFAOYSA-N
XLogP14.73
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.98
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[3-[6-[3-[9-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]phenyl]dibenzofuran-4-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

3-dibenzothiophen-2-yl-8-[3-[(1E)-2-[4-(8-dibenzothiophen-4-yl-5,6-difluoro-1,10-phenanthrolin-3-yl)dibenzothiophen-2-yl]buta-1,3-dienyl]-2-methyl-1-benzofuran-5-yl]-5,6-difluoro-1,10-phenanthroline
CID 134446094
N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-(1-phenylpyridin-1-ium-4-yl)carbazol-3-amine
CID 155617606
N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-(1-phenylpyridin-1-ium-4-yl)carbazol-3-amine
CID 155617616
[7-[Bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]dibenzofuran-3-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[7-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[6-[5-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-2-pyridinyl]-3-pyridinyl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]dibenzothiophen-3-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane
CID 157655597
5-(1H-inden-2-yl)-2-[6-(3-phenylphenyl)-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-(4-phenyl-2-pyridinyl)-9-(trifluoromethyl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-pyridin-2-yl-10-pyrrol-1-yl-[1]benzofuro[3,2-c]carbazole
CID 157966969
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
9-[3-[3-[3-(8-Carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
CID 57544048
8-[3-[3-[3-(8-Carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-5-(3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544050
9-[8-[3-(3-Dibenzofuran-2-ylphenyl)phenyl]dibenzothiophen-2-yl]pyrido[3,4-b]indole
CID 57544060
3-[8-(3-Carbazol-9-ylphenyl)dibenzofuran-2-yl]-9-phenylpyrido[3,4-b]indole
CID 57544064
8-[8-[3-[8-(4,8,12-Triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544076
8-[8-[3-(3-Carbazol-9-ylphenyl)phenyl]dibenzofuran-2-yl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544078

Frequently Asked Questions

What is the IUPAC name of 8-[3-[6-[3-[9-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]phenyl]dibenzofuran-4-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[3-[6-[3-[9-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]phenyl]dibenzofuran-4-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 143802443) is 8-[3-[6-[3-[9-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]phenyl]dibenzofuran-4-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-[3-[6-[3-[9-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]phenyl]dibenzofuran-4-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[3-[6-[3-[9-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]phenyl]dibenzofuran-4-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1cc(-c2cccc3c2oc2c(-c4cccc(-n5c6cnccc6c6ccncc65)c4)cccc23)cc(-c2cccc3c2sc2cccc(-n4c5ccncc5c5cnccc54)c23)c1.
What is the InChIKey of 8-[3-[6-[3-[9-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]phenyl]dibenzofuran-4-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is IYTAMAULYHKCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N6OS/c1-7-33(27-34(8-1)39-13-5-16-44-53-49(17-6-18-52(53)64-56(39)44)62-47-21-25-57-29-45(47)46-30-58-26-22-48(46)62)37-11-3-14-42-43-15-4-12-38(55(43)63-54(37)42)35-9-2-10-36(28-35)61-50-31-59-23-19-40(50)41-20-24-60-32-51(41)61/h1-32H.
What are the key properties of 8-[3-[6-[3-[9-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]phenyl]dibenzofuran-4-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[3-[6-[3-[9-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]phenyl]dibenzofuran-4-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 836.98 g/mol, XLogP of 14.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[6-[3-[9-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzothiophen-4-yl]phenyl]dibenzofuran-4-yl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 143802443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).