2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-7-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;3-(2-benzo[b]carbazol-5-yl-9,9-dimethyl-7-phenylindeno[2,1-d]pyrimidin-4-yl)benzonitrile;2-benzo[b]carbazol-5-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine

C128H78N10OS2 — CID 158511661

IUPAC2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-7-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;3-(2-benzo[b]carbazol-5-yl-9,9-dimethyl-7-phenylindeno[2,1-d]pyrimidin-4-yl)benzonitrile;2-benzo[b]carbazol-5-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3cccc(C#N)c3)nc(-n3c4ccccc4c4cc5ccccc5cc43)nc21.[2H]c1c([2H])c([2H])c(-c2ccc3sc4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc(-c5ccccc5)c4c3c2)c([2H])c1[2H].c1ccc2cc(-c3ccc4c(c3)oc3nc(-n5c6ccccc6c6cc7ccccc7cc65)nc(-c5ccc6c(c5)sc5ccccc56)c34)ccc2c1
InChIInChI=1S/C48H27N3OS.C42H28N4.C38H23N3S/c1-2-10-29-23-32(18-17-28(29)9-1)33-19-22-38-42(26-33)52-47-45(38)46(34-20-21-37-36-14-6-8-16-43(36)53-44(37)27-34)49-48(50-47)51-40-15-7-5-13-35(40)39-24-30-11-3-4-12-31(30)25-41(39)51;1-42(2)35-23-30(27-12-4-3-5-13-27)19-20-33(35)38-39(31-16-10-11-26(21-31)25-43)44-41(45-40(38)42)46-36-18-9-8-17-32(36)34-22-28-14-6-7-15-29(28)24-37(34)46;1-3-11-24(12-4-1)28-19-20-34-31(22-28)35-36(25-13-5-2-6-14-25)39-38(40-37(35)42-34)41-32-18-10-9-17-29(32)30-21-26-15-7-8-16-27(26)23-33(30)41/h1-27H;3-24H,1-2H3;1-23H/i;;1D,3D,4D,11D,12D
InChIKeyHLDBXEUBSRFIQF-AOEHIBCWSA-N
MW1841.27 g/mol
LogP34.15
Rot. Bonds9

About 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-7-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;3-(2-benzo[b]carbazol-5-yl-9,9-dimethyl-7-phenylindeno[2,1-d]pyrimidin-4-yl)benzonitrile;2-benzo[b]carbazol-5-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine

2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-7-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;3-(2-benzo[b]carbazol-5-yl-9,9-dimethyl-7-phenylindeno[2,1-d]pyrimidin-4-yl)benzonitrile;2-benzo[b]carbazol-5-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine (PubChem CID 158511661) has the molecular formula C128H78N10OS2 and a molecular weight of 1841.27 g/mol. Its IUPAC name is 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-7-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;3-(2-benzo[b]carbazol-5-yl-9,9-dimethyl-7-phenylindeno[2,1-d]pyrimidin-4-yl)benzonitrile;2-benzo[b]carbazol-5-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-7-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;3-(2-benzo[b]carbazol-5-yl-9,9-dimethyl-7-phenylindeno[2,1-d]pyrimidin-4-yl)benzonitrile;2-benzo[b]carbazol-5-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine
PubChem CID158511661
Molecular FormulaC128H78N10OS2
Molecular Weight1841.27 g/mol
Exact Mass1839.61
IUPAC Name2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-7-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;3-(2-benzo[b]carbazol-5-yl-9,9-dimethyl-7-phenylindeno[2,1-d]pyrimidin-4-yl)benzonitrile;2-benzo[b]carbazol-5-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3cccc(C#N)c3)nc(-n3c4ccccc4c4cc5ccccc5cc43)nc21.[2H]c1c([2H])c([2H])c(-c2ccc3sc4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc(-c5ccccc5)c4c3c2)c([2H])c1[2H].c1ccc2cc(-c3ccc4c(c3)oc3nc(-n5c6ccccc6c6cc7ccccc7cc65)nc(-c5ccc6c(c5)sc5ccccc56)c34)ccc2c1
InChIInChI=1S/C48H27N3OS.C42H28N4.C38H23N3S/c1-2-10-29-23-32(18-17-28(29)9-1)33-19-22-38-42(26-33)52-47-45(38)46(34-20-21-37-36-14-6-8-16-43(36)53-44(37)27-34)49-48(50-47)51-40-15-7-5-13-35(40)39-24-30-11-3-4-12-31(30)25-41(39)51;1-42(2)35-23-30(27-12-4-3-5-13-27)19-20-33(35)38-39(31-16-10-11-26(21-31)25-43)44-41(45-40(38)42)46-36-18-9-8-17-32(36)34-22-28-14-6-7-15-29(28)24-37(34)46;1-3-11-24(12-4-1)28-19-20-34-31(22-28)35-36(25-13-5-2-6-14-25)39-38(40-37(35)42-34)41-32-18-10-9-17-29(32)30-21-26-15-7-8-16-27(26)23-33(30)41/h1-27H;3-24H,1-2H3;1-23H/i;;1D,3D,4D,11D,12D
InChIKeyHLDBXEUBSRFIQF-AOEHIBCWSA-N
XLogP34.15
TPSA129.06 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001841.27
LogP ≤ 534.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-7-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;3-(2-benzo[b]carbazol-5-yl-9,9-dimethyl-7-phenylindeno[2,1-d]pyrimidin-4-yl)benzonitrile;2-benzo[b]carbazol-5-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine with MolForge

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Related Compounds

2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzothiolo[2,3-d]pyrimidine;5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole
CID 157150398
2-[26-[2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-6-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-13-yl]-4-phenyl-6-[13-(4-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-26-yl]-[1]benzofuro[2,3-d]pyrimidine
CID 166821219
2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;5-[4-(9,9-diphenylfluoren-3-yl)-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole
CID 159767383
2-benzo[b]carbazol-5-yl-4-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[2,3-d]pyrimidine
CID 146391893
5-(4-dibenzofuran-3-yl-7-phenylquinazolin-2-yl)-1-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-3-yl-7-phenylquinazolin-2-yl)-1-phenylbenzo[b]carbazole;1-phenyl-5-[7-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole
CID 160800413
4-phenyl-2-(11-thia-28-azaheptacyclo[15.11.0.03,15.04,12.05,10.018,27.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18,20,22,24,26-tridecaen-28-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 126621518
22-(4-dibenzothiophen-3-yl-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-9-thia-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 126621522
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130333587
2-(12,12-dimethyl-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine
CID 166003606
2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-[3-phenyl-5-[4-[13-[4-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-25-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 166821433
5-[4-(9,9-dimethylfluoren-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)quinazolin-2-yl]benzo[b]carbazole
CID 161250463
2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzothiophen-2-yl-[1]benzofuro[2,3-d]pyrimidine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-dibenzothiophen-2-yl-[1]benzofuro[3,2-d]pyrimidine;13-(4-dibenzothiophen-2-yl-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 163652847

Frequently Asked Questions

What is the IUPAC name of 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-7-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;3-(2-benzo[b]carbazol-5-yl-9,9-dimethyl-7-phenylindeno[2,1-d]pyrimidin-4-yl)benzonitrile;2-benzo[b]carbazol-5-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine?
The IUPAC name of 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-7-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;3-(2-benzo[b]carbazol-5-yl-9,9-dimethyl-7-phenylindeno[2,1-d]pyrimidin-4-yl)benzonitrile;2-benzo[b]carbazol-5-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine (CID 158511661) is 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-7-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;3-(2-benzo[b]carbazol-5-yl-9,9-dimethyl-7-phenylindeno[2,1-d]pyrimidin-4-yl)benzonitrile;2-benzo[b]carbazol-5-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-7-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;3-(2-benzo[b]carbazol-5-yl-9,9-dimethyl-7-phenylindeno[2,1-d]pyrimidin-4-yl)benzonitrile;2-benzo[b]carbazol-5-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine?
The canonical SMILES for 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-7-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;3-(2-benzo[b]carbazol-5-yl-9,9-dimethyl-7-phenylindeno[2,1-d]pyrimidin-4-yl)benzonitrile;2-benzo[b]carbazol-5-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine is CC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3cccc(C#N)c3)nc(-n3c4ccccc4c4cc5ccccc5cc43)nc21.[2H]c1c([2H])c([2H])c(-c2ccc3sc4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc(-c5ccccc5)c4c3c2)c([2H])c1[2H].c1ccc2cc(-c3ccc4c(c3)oc3nc(-n5c6ccccc6c6cc7ccccc7cc65)nc(-c5ccc6c(c5)sc5ccccc56)c34)ccc2c1.
What is the InChIKey of 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-7-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;3-(2-benzo[b]carbazol-5-yl-9,9-dimethyl-7-phenylindeno[2,1-d]pyrimidin-4-yl)benzonitrile;2-benzo[b]carbazol-5-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine?
The InChIKey is HLDBXEUBSRFIQF-AOEHIBCWSA-N. The full InChI is InChI=1S/C48H27N3OS.C42H28N4.C38H23N3S/c1-2-10-29-23-32(18-17-28(29)9-1)33-19-22-38-42(26-33)52-47-45(38)46(34-20-21-37-36-14-6-8-16-43(36)53-44(37)27-34)49-48(50-47)51-40-15-7-5-13-35(40)39-24-30-11-3-4-12-31(30)25-41(39)51;1-42(2)35-23-30(27-12-4-3-5-13-27)19-20-33(35)38-39(31-16-10-11-26(21-31)25-43)44-41(45-40(38)42)46-36-18-9-8-17-32(36)34-22-28-14-6-7-15-29(28)24-37(34)46;1-3-11-24(12-4-1)28-19-20-34-31(22-28)35-36(25-13-5-2-6-14-25)39-38(40-37(35)42-34)41-32-18-10-9-17-29(32)30-21-26-15-7-8-16-27(26)23-33(30)41/h1-27H;3-24H,1-2H3;1-23H/i;;1D,3D,4D,11D,12D.
What are the key properties of 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-7-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;3-(2-benzo[b]carbazol-5-yl-9,9-dimethyl-7-phenylindeno[2,1-d]pyrimidin-4-yl)benzonitrile;2-benzo[b]carbazol-5-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine?
2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-7-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;3-(2-benzo[b]carbazol-5-yl-9,9-dimethyl-7-phenylindeno[2,1-d]pyrimidin-4-yl)benzonitrile;2-benzo[b]carbazol-5-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine has a molecular weight of 1841.27 g/mol, XLogP of 34.15, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-7-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;3-(2-benzo[b]carbazol-5-yl-9,9-dimethyl-7-phenylindeno[2,1-d]pyrimidin-4-yl)benzonitrile;2-benzo[b]carbazol-5-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine is sourced from PubChem (CID 158511661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).