2-(2-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

C86H50N6O2S2 — CID 159774163

IUPAC2-(2-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccccc34)nc3c2oc2ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)c3)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C46H27N3OS.C40H23N3OS/c1-2-13-28(14-3-1)42-44-43(35-20-6-10-23-40(35)50-44)48-46(47-42)30-16-12-15-29(25-30)36-26-31(27-37-34-19-7-11-24-41(34)51-45(36)37)49-38-21-8-4-17-32(38)33-18-5-9-22-39(33)49;1-2-12-24(13-3-1)36-38-37(29-17-6-10-20-34(29)44-38)42-40(41-36)31-23-25(22-30-28-16-7-11-21-35(28)45-39(30)31)43-32-18-8-4-14-26(32)27-15-5-9-19-33(27)43/h1-27H;1-23H
InChIKeyNGMZTRAYQORWGL-UHFFFAOYSA-N
MW1263.52 g/mol
LogP24.02
Rot. Bonds7

About 2-(2-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

2-(2-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 159774163) has the molecular formula C86H50N6O2S2 and a molecular weight of 1263.52 g/mol. Its IUPAC name is 2-(2-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(2-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID159774163
Molecular FormulaC86H50N6O2S2
Molecular Weight1263.52 g/mol
Exact Mass1262.34
IUPAC Name2-(2-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccccc34)nc3c2oc2ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)c3)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C46H27N3OS.C40H23N3OS/c1-2-13-28(14-3-1)42-44-43(35-20-6-10-23-40(35)50-44)48-46(47-42)30-16-12-15-29(25-30)36-26-31(27-37-34-19-7-11-24-41(34)51-45(36)37)49-38-21-8-4-17-32(38)33-18-5-9-22-39(33)49;1-2-12-24(13-3-1)36-38-37(29-17-6-10-20-34(29)44-38)42-40(41-36)31-23-25(22-30-28-16-7-11-21-35(28)45-39(30)31)43-32-18-8-4-14-26(32)27-15-5-9-19-33(27)43/h1-27H;1-23H
InChIKeyNGMZTRAYQORWGL-UHFFFAOYSA-N
XLogP24.02
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001263.52
LogP ≤ 524.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-(2-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

9-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzothiophen-2-yl]carbazole
CID 121289872
4-phenyl-2-[7-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 154978793
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 129225740
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole;2-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 158797000
9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl]carbazole
CID 147946042
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 130265782
4-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 130334427
4-phenyl-2-[8-(3-phenylcarbazol-9-yl)dibenzothiophen-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 149083793
9-[4-[2-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-2-yl]carbazole
CID 170228249
9-(4-dibenzofuran-1-yldibenzothiophen-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 139555563
9-[4-(5-carbazol-9-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[7-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl]carbazole;9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl]carbazole
CID 158164739
2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[3-[9-[4-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]carbazol-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 148679221

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-(2-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 159774163) is 2-(2-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-(2-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-(2-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccccc34)nc3c2oc2ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)c3)nc3c2oc2ccccc23)cc1.
What is the InChIKey of 2-(2-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is NGMZTRAYQORWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3OS.C40H23N3OS/c1-2-13-28(14-3-1)42-44-43(35-20-6-10-23-40(35)50-44)48-46(47-42)30-16-12-15-29(25-30)36-26-31(27-37-34-19-7-11-24-41(34)51-45(36)37)49-38-21-8-4-17-32(38)33-18-5-9-22-39(33)49;1-2-12-24(13-3-1)36-38-37(29-17-6-10-20-34(29)44-38)42-40(41-36)31-23-25(22-30-28-16-7-11-21-35(28)45-39(30)31)43-32-18-8-4-14-26(32)27-15-5-9-19-33(27)43/h1-27H;1-23H.
What are the key properties of 2-(2-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
2-(2-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 1263.52 g/mol, XLogP of 24.02, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbazol-9-yldibenzothiophen-4-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 159774163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).