4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[2-(9,9-diphenylfluoren-4-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole;methane

C208H134N12O2S — CID 160818267

IUPAC4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[2-(9,9-diphenylfluoren-4-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole;methane
SMILESC.CC1(C)c2ccccc2-c2nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-n3c4ccccc4c4cc5ccccc5cc43)c21.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccccc6c5n4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5sc6ccccc6c5n4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(n4)oc4ccccc45)ccc32)cc1
InChIInChI=1S/C54H37N3.2C51H31N3O.C51H31N3S.CH4/c1-53(2)43-28-14-12-26-40(43)50-49(53)52(57-46-31-16-13-24-38(46)42-32-34-18-9-10-19-35(34)33-47(42)57)56-51(55-50)41-27-17-30-45-48(41)39-25-11-15-29-44(39)54(45,36-20-5-3-6-21-36)37-22-7-4-8-23-37;1-3-18-34(19-4-1)51(35-20-5-2-6-21-35)41-26-12-9-23-37(41)46-39(25-15-27-42(46)51)49-52-47-38-24-11-14-29-45(38)55-48(47)50(53-49)54-43-28-13-10-22-36(43)40-30-32-16-7-8-17-33(32)31-44(40)54;1-3-17-35(18-4-1)51(36-19-5-2-6-20-36)42-24-12-9-21-37(42)40-30-34(27-28-43(40)51)48-52-49(47-39-23-11-14-26-46(39)55-50(47)53-48)54-44-25-13-10-22-38(44)41-29-32-15-7-8-16-33(32)31-45(41)54;1-3-18-34(19-4-1)51(35-20-5-2-6-21-35)41-26-12-9-23-37(41)46-39(25-15-27-42(46)51)49-52-47-38-24-11-14-29-45(38)55-48(47)50(53-49)54-43-28-13-10-22-36(43)40-30-32-16-7-8-17-33(32)31-44(40)54;/h3-33H,1-2H3;3*1-31H;1H4
InChIKeySFEVFNXLXJEIDI-UHFFFAOYSA-N
MW2865.51 g/mol
LogP52.14
Rot. Bonds16

About 4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[2-(9,9-diphenylfluoren-4-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole;methane

4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[2-(9,9-diphenylfluoren-4-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole;methane (PubChem CID 160818267) has the molecular formula C208H134N12O2S and a molecular weight of 2865.51 g/mol. Its IUPAC name is 4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[2-(9,9-diphenylfluoren-4-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole;methane.

Molecular Properties

Compound Name4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[2-(9,9-diphenylfluoren-4-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole;methane
PubChem CID160818267
Molecular FormulaC208H134N12O2S
Molecular Weight2865.51 g/mol
Exact Mass2863.05
IUPAC Name4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[2-(9,9-diphenylfluoren-4-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole;methane
SMILESC.CC1(C)c2ccccc2-c2nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-n3c4ccccc4c4cc5ccccc5cc43)c21.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccccc6c5n4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5sc6ccccc6c5n4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(n4)oc4ccccc45)ccc32)cc1
InChIInChI=1S/C54H37N3.2C51H31N3O.C51H31N3S.CH4/c1-53(2)43-28-14-12-26-40(43)50-49(53)52(57-46-31-16-13-24-38(46)42-32-34-18-9-10-19-35(34)33-47(42)57)56-51(55-50)41-27-17-30-45-48(41)39-25-11-15-29-44(39)54(45,36-20-5-3-6-21-36)37-22-7-4-8-23-37;1-3-18-34(19-4-1)51(35-20-5-2-6-21-35)41-26-12-9-23-37(41)46-39(25-15-27-42(46)51)49-52-47-38-24-11-14-29-45(38)55-48(47)50(53-49)54-43-28-13-10-22-36(43)40-30-32-16-7-8-17-33(32)31-44(40)54;1-3-17-35(18-4-1)51(36-19-5-2-6-20-36)42-24-12-9-21-37(42)40-30-34(27-28-43(40)51)48-52-49(47-39-23-11-14-26-46(39)55-50(47)53-48)54-44-25-13-10-22-38(44)41-29-32-15-7-8-16-33(32)31-45(41)54;1-3-18-34(19-4-1)51(35-20-5-2-6-21-35)41-26-12-9-23-37(41)46-39(25-15-27-42(46)51)49-52-47-38-24-11-14-29-45(38)55-48(47)50(53-49)54-43-28-13-10-22-36(43)40-30-32-16-7-8-17-33(32)31-44(40)54;/h3-33H,1-2H3;3*1-31H;1H4
InChIKeySFEVFNXLXJEIDI-UHFFFAOYSA-N
XLogP52.14
TPSA149.12 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002865.51
LogP ≤ 552.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[2-(9,9-diphenylfluoren-4-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole;methane with MolForge

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Related Compounds

4-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;4-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-2-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;12-(5,5-dimethyl-2-naphthalen-2-ylindeno[1,2-d]pyrimidin-4-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 159658297
4-benzo[b]carbazol-5-yl-2-(9,9'-spirobi[fluorene]-4'-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 146392119
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-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-dimethylfluoren-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[4-(9,9-dimethylfluoren-2-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole
CID 157190729
5-[5,5-dimethyl-2-(9,9'-spirobi[fluorene]-4'-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole
CID 146391930
2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 153453065
4-[9,9-dimethyl-6-[10-(4-naphthalen-1-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)spiro[14-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]-4'-yl]fluoren-2-yl]-2-spiro[14-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]-10-yl-[1]benzofuro[3,2-d]pyrimidine
CID 163680391
12-[2-(9,9-dimethylfluoren-3-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 146392053
3-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 146391949
4-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;4-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-2-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 158799010
5-(2-dibenzofuran-2-ylquinazolin-4-yl)benzo[b]carbazole;5-(2-dibenzothiophen-2-ylquinazolin-4-yl)benzo[b]carbazole;5-[2-(9,9-dimethylfluoren-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 161048106
2-benzo[b]carbazol-5-yl-4-(9,9'-spirobi[fluorene]-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 146391848

Frequently Asked Questions

What is the IUPAC name of 4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[2-(9,9-diphenylfluoren-4-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole;methane?
The IUPAC name of 4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[2-(9,9-diphenylfluoren-4-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole;methane (CID 160818267) is 4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[2-(9,9-diphenylfluoren-4-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole;methane.
What is the SMILES notation for 4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[2-(9,9-diphenylfluoren-4-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole;methane?
The canonical SMILES for 4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[2-(9,9-diphenylfluoren-4-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole;methane is C.CC1(C)c2ccccc2-c2nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-n3c4ccccc4c4cc5ccccc5cc43)c21.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccccc6c5n4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5sc6ccccc6c5n4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5c(n4)oc4ccccc45)ccc32)cc1.
What is the InChIKey of 4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[2-(9,9-diphenylfluoren-4-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole;methane?
The InChIKey is SFEVFNXLXJEIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3.2C51H31N3O.C51H31N3S.CH4/c1-53(2)43-28-14-12-26-40(43)50-49(53)52(57-46-31-16-13-24-38(46)42-32-34-18-9-10-19-35(34)33-47(42)57)56-51(55-50)41-27-17-30-45-48(41)39-25-11-15-29-44(39)54(45,36-20-5-3-6-21-36)37-22-7-4-8-23-37;1-3-18-34(19-4-1)51(35-20-5-2-6-21-35)41-26-12-9-23-37(41)46-39(25-15-27-42(46)51)49-52-47-38-24-11-14-29-45(38)55-48(47)50(53-49)54-43-28-13-10-22-36(43)40-30-32-16-7-8-17-33(32)31-44(40)54;1-3-17-35(18-4-1)51(36-19-5-2-6-20-36)42-24-12-9-21-37(42)40-30-34(27-28-43(40)51)48-52-49(47-39-23-11-14-26-46(39)55-50(47)53-48)54-44-25-13-10-22-38(44)41-29-32-15-7-8-16-33(32)31-45(41)54;1-3-18-34(19-4-1)51(35-20-5-2-6-21-35)41-26-12-9-23-37(41)46-39(25-15-27-42(46)51)49-52-47-38-24-11-14-29-45(38)55-48(47)50(53-49)54-43-28-13-10-22-36(43)40-30-32-16-7-8-17-33(32)31-44(40)54;/h3-33H,1-2H3;3*1-31H;1H4.
What are the key properties of 4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[2-(9,9-diphenylfluoren-4-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole;methane?
4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[2-(9,9-diphenylfluoren-4-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole;methane has a molecular weight of 2865.51 g/mol, XLogP of 52.14, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[2-(9,9-diphenylfluoren-4-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole;methane is sourced from PubChem (CID 160818267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).