2-(8-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(9-benzo[a]carbazol-11-yldibenzofuran-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine

C196H112N12O7S — CID 163659723

IUPAC2-(8-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(9-benzo[a]carbazol-11-yldibenzofuran-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5oc6ccc(-n7c8ccc(-c9ccccc9)cc8c8cc9ccccc9cc87)cc6c45)nc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccc4oc5cccc(-n6c7ccccc7c7ccc8ccccc8c76)c5c4c3)nc3c2sc2ccccc23)cc1.c1ccc2cc(-c3nc(-c4cccc5oc6ccc(-n7c8ccccc8c8cc9ccccc9cc87)cc6c45)nc4c3oc3ccccc34)ccc2c1.c1ccc2cc(-c3nc(-c4cccc5oc6ccc(-n7c8ccccc8c8ccc9ccccc9c87)cc6c45)nc4c3oc3ccccc34)ccc2c1
InChIInChI=1S/C56H33N3O2.2C48H27N3O2.C44H25N3OS/c1-3-12-34(13-4-1)36-22-24-37(25-23-36)53-55-54(42-18-9-10-20-49(42)61-55)58-56(57-53)43-19-11-21-51-52(43)46-33-41(27-29-50(46)60-51)59-47-28-26-40(35-14-5-2-6-15-35)31-44(47)45-30-38-16-7-8-17-39(38)32-48(45)59;1-2-12-30-26-31(21-20-28(30)10-1)44-47-45(36-15-6-8-18-40(36)53-47)50-48(49-44)37-16-9-19-42-43(37)38-27-32(23-25-41(38)52-42)51-39-17-7-5-14-34(39)35-24-22-29-11-3-4-13-33(29)46(35)51;1-2-11-29-24-32(21-20-28(29)10-1)45-47-46(35-15-6-8-18-41(35)53-47)50-48(49-45)36-16-9-19-43-44(36)38-27-33(22-23-42(38)52-43)51-39-17-7-5-14-34(39)37-25-30-12-3-4-13-31(30)26-40(37)51;1-2-12-27(13-3-1)40-43-41(32-16-7-9-20-38(32)49-43)46-44(45-40)28-22-24-36-33(25-28)39-35(18-10-19-37(39)48-36)47-34-17-8-6-15-30(34)31-23-21-26-11-4-5-14-29(26)42(31)47/h1-33H;2*1-27H;1-25H
InChIKeyITIRYILRPQKDDA-UHFFFAOYSA-N
MW2779.20 g/mol
LogP53.55
Rot. Bonds14

About 2-(8-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(9-benzo[a]carbazol-11-yldibenzofuran-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine

2-(8-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(9-benzo[a]carbazol-11-yldibenzofuran-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 163659723) has the molecular formula C196H112N12O7S and a molecular weight of 2779.20 g/mol. Its IUPAC name is 2-(8-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(9-benzo[a]carbazol-11-yldibenzofuran-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(8-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(9-benzo[a]carbazol-11-yldibenzofuran-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID163659723
Molecular FormulaC196H112N12O7S
Molecular Weight2779.20 g/mol
Exact Mass2776.85
IUPAC Name2-(8-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(9-benzo[a]carbazol-11-yldibenzofuran-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5oc6ccc(-n7c8ccc(-c9ccccc9)cc8c8cc9ccccc9cc87)cc6c45)nc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccc4oc5cccc(-n6c7ccccc7c7ccc8ccccc8c76)c5c4c3)nc3c2sc2ccccc23)cc1.c1ccc2cc(-c3nc(-c4cccc5oc6ccc(-n7c8ccccc8c8cc9ccccc9cc87)cc6c45)nc4c3oc3ccccc34)ccc2c1.c1ccc2cc(-c3nc(-c4cccc5oc6ccc(-n7c8ccccc8c8ccc9ccccc9c87)cc6c45)nc4c3oc3ccccc34)ccc2c1
InChIInChI=1S/C56H33N3O2.2C48H27N3O2.C44H25N3OS/c1-3-12-34(13-4-1)36-22-24-37(25-23-36)53-55-54(42-18-9-10-20-49(42)61-55)58-56(57-53)43-19-11-21-51-52(43)46-33-41(27-29-50(46)60-51)59-47-28-26-40(35-14-5-2-6-15-35)31-44(47)45-30-38-16-7-8-17-39(38)32-48(45)59;1-2-12-30-26-31(21-20-28(30)10-1)44-47-45(36-15-6-8-18-40(36)53-47)50-48(49-44)37-16-9-19-42-43(37)38-27-32(23-25-41(38)52-42)51-39-17-7-5-14-34(39)35-24-22-29-11-3-4-13-33(29)46(35)51;1-2-11-29-24-32(21-20-28(29)10-1)45-47-46(35-15-6-8-18-41(35)53-47)50-48(49-45)36-16-9-19-43-44(36)38-27-33(22-23-42(38)52-43)51-39-17-7-5-14-34(39)37-25-30-12-3-4-13-31(30)26-40(37)51;1-2-12-27(13-3-1)40-43-41(32-16-7-9-20-38(32)49-43)46-44(45-40)28-22-24-36-33(25-28)39-35(18-10-19-37(39)48-36)47-34-17-8-6-15-30(34)31-23-21-26-11-4-5-14-29(26)42(31)47/h1-33H;2*1-27H;1-25H
InChIKeyITIRYILRPQKDDA-UHFFFAOYSA-N
XLogP53.55
TPSA214.82 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002779.20
LogP ≤ 553.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-(8-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(9-benzo[a]carbazol-11-yldibenzofuran-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

2-([1]Benzothiolo[2,3-b]carbazol-7-yl)-4-[4-methyl-3-(2-phenoxyphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 129234972
12-(4-Phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 129290134
12-(2-Naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-16-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 134224645
20-(7-Phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene
CID 134224864
4-Dibenzothiophen-2-yl-2-phenyl-8-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 134399088
3-[4-[4-([1]Benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;3-[3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[3-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 160780170
6-Dibenzofuran-3-yl-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-12-naphthalen-2-yl-[1]benzothiolo[2,3-a]carbazole
CID 160780233
11-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-19-oxa-4,14-diazaheptacyclo[13.11.0.02,13.03,10.05,9.018,26.020,25]hexacosa-1(15),2(13),3(10),5,8,11,16,18(26),20,22,24-undecaene
CID 160780344
CID 163643732
CID 163643732
3-(4-Dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163643733
3-[4-Dibenzothiophen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163643736
3-[4-Dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163643737

Frequently Asked Questions

What is the IUPAC name of 2-(8-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(9-benzo[a]carbazol-11-yldibenzofuran-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-(8-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(9-benzo[a]carbazol-11-yldibenzofuran-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine (CID 163659723) is 2-(8-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(9-benzo[a]carbazol-11-yldibenzofuran-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-(8-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(9-benzo[a]carbazol-11-yldibenzofuran-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-(8-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(9-benzo[a]carbazol-11-yldibenzofuran-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2ccc(-c3nc(-c4cccc5oc6ccc(-n7c8ccc(-c9ccccc9)cc8c8cc9ccccc9cc87)cc6c45)nc4c3oc3ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccc4oc5cccc(-n6c7ccccc7c7ccc8ccccc8c76)c5c4c3)nc3c2sc2ccccc23)cc1.c1ccc2cc(-c3nc(-c4cccc5oc6ccc(-n7c8ccccc8c8cc9ccccc9cc87)cc6c45)nc4c3oc3ccccc34)ccc2c1.c1ccc2cc(-c3nc(-c4cccc5oc6ccc(-n7c8ccccc8c8ccc9ccccc9c87)cc6c45)nc4c3oc3ccccc34)ccc2c1.
What is the InChIKey of 2-(8-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(9-benzo[a]carbazol-11-yldibenzofuran-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is ITIRYILRPQKDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N3O2.2C48H27N3O2.C44H25N3OS/c1-3-12-34(13-4-1)36-22-24-37(25-23-36)53-55-54(42-18-9-10-20-49(42)61-55)58-56(57-53)43-19-11-21-51-52(43)46-33-41(27-29-50(46)60-51)59-47-28-26-40(35-14-5-2-6-15-35)31-44(47)45-30-38-16-7-8-17-39(38)32-48(45)59;1-2-12-30-26-31(21-20-28(30)10-1)44-47-45(36-15-6-8-18-40(36)53-47)50-48(49-44)37-16-9-19-42-43(37)38-27-32(23-25-41(38)52-42)51-39-17-7-5-14-34(39)35-24-22-29-11-3-4-13-33(29)46(35)51;1-2-11-29-24-32(21-20-28(29)10-1)45-47-46(35-15-6-8-18-41(35)53-47)50-48(49-45)36-16-9-19-43-44(36)38-27-33(22-23-42(38)52-43)51-39-17-7-5-14-34(39)37-25-30-12-3-4-13-31(30)26-40(37)51;1-2-12-27(13-3-1)40-43-41(32-16-7-9-20-38(32)49-43)46-44(45-40)28-22-24-36-33(25-28)39-35(18-10-19-37(39)48-36)47-34-17-8-6-15-30(34)31-23-21-26-11-4-5-14-29(26)42(31)47/h1-33H;2*1-27H;1-25H.
What are the key properties of 2-(8-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(9-benzo[a]carbazol-11-yldibenzofuran-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
2-(8-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(9-benzo[a]carbazol-11-yldibenzofuran-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 2779.20 g/mol, XLogP of 53.55, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-(9-benzo[a]carbazol-11-yldibenzofuran-2-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 163659723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).