5-(8-dibenzofuran-4-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-4-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-4-yl)phthalazin-5-yl]benzo[b]carbazole

C111H69N9OS — CID 159288300

IUPAC5-(8-dibenzofuran-4-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-4-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-4-yl)phthalazin-5-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4cnncc34)cccc21.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2cccc3c2oc2ccccc23)c2cnncc12.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2cccc3c2sc2ccccc23)c2cnncc12
InChIInChI=1S/C39H27N3.C36H21N3O.C36H21N3S/c1-39(2)33-15-7-5-13-29(33)38-28(14-9-16-34(38)39)26-18-19-36(32-23-41-40-22-31(26)32)42-35-17-8-6-12-27(35)30-20-24-10-3-4-11-25(24)21-37(30)42;2*1-2-9-23-19-34-29(18-22(23)8-1)25-10-3-5-14-32(25)39(34)33-17-16-24(30-20-37-38-21-31(30)33)27-12-7-13-28-26-11-4-6-15-35(26)40-36(27)28/h3-23H,1-2H3;2*1-21H
InChIKeyKZUCBTOXTMVTKW-UHFFFAOYSA-N
MW1576.90 g/mol
LogP29.21
Rot. Bonds6

About 5-(8-dibenzofuran-4-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-4-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-4-yl)phthalazin-5-yl]benzo[b]carbazole

5-(8-dibenzofuran-4-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-4-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-4-yl)phthalazin-5-yl]benzo[b]carbazole (PubChem CID 159288300) has the molecular formula C111H69N9OS and a molecular weight of 1576.90 g/mol. Its IUPAC name is 5-(8-dibenzofuran-4-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-4-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-4-yl)phthalazin-5-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-(8-dibenzofuran-4-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-4-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-4-yl)phthalazin-5-yl]benzo[b]carbazole
PubChem CID159288300
Molecular FormulaC111H69N9OS
Molecular Weight1576.90 g/mol
Exact Mass1575.53
IUPAC Name5-(8-dibenzofuran-4-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-4-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-4-yl)phthalazin-5-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4cnncc34)cccc21.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2cccc3c2oc2ccccc23)c2cnncc12.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2cccc3c2sc2ccccc23)c2cnncc12
InChIInChI=1S/C39H27N3.C36H21N3O.C36H21N3S/c1-39(2)33-15-7-5-13-29(33)38-28(14-9-16-34(38)39)26-18-19-36(32-23-41-40-22-31(26)32)42-35-17-8-6-12-27(35)30-20-24-10-3-4-11-25(24)21-37(30)42;2*1-2-9-23-19-34-29(18-22(23)8-1)25-10-3-5-14-32(25)39(34)33-17-16-24(30-20-37-38-21-31(30)33)27-12-7-13-28-26-11-4-6-15-35(26)40-36(27)28/h3-23H,1-2H3;2*1-21H
InChIKeyKZUCBTOXTMVTKW-UHFFFAOYSA-N
XLogP29.21
TPSA105.27 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001576.90
LogP ≤ 529.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

5-[10-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
CID 167347699
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[1,2-a]carbazole
CID 164993637
5-(6-dibenzofuran-4-yl-3,7-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(7-dibenzofuran-4-yl-3,6-diphenylquinoxalin-2-yl)benzo[b]carbazole;5-(6-dibenzothiophen-4-yl-3,7-diphenylquinoxalin-2-yl)benzo[b]carbazole
CID 161274836
5-[3-dibenzofuran-4-yl-4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155430958
2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazine
CID 165160159
5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699163
2-[4-[4-[3-dibenzofuran-4-yl-2-[2-[9-[4-[3-dibenzothiophen-4-yl-2-(2-phenylbenzo[b]carbazol-5-yl)quinoxalin-6-yl]phenyl]phenanthren-3-yl]benzo[b]carbazol-5-yl]quinoxalin-6-yl]phenyl]phenyl]-5-[3-(9,9-dimethylfluoren-4-yl)-6-phenylquinoxalin-2-yl]benzo[b]carbazole
CID 146539999
5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699331
20-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580579
2'-dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];2'-dibenzothiophen-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];2'-(9,9-dimethylfluoren-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene];2'-(9,9-dimethylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
CID 159782191
5-[9-(4-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166700217
4-(4-dibenzothiophen-4-ylphenyl)-15,15-dimethyl-18-oxa-4-azaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 118892112

Frequently Asked Questions

What is the IUPAC name of 5-(8-dibenzofuran-4-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-4-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-4-yl)phthalazin-5-yl]benzo[b]carbazole?
The IUPAC name of 5-(8-dibenzofuran-4-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-4-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-4-yl)phthalazin-5-yl]benzo[b]carbazole (CID 159288300) is 5-(8-dibenzofuran-4-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-4-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-4-yl)phthalazin-5-yl]benzo[b]carbazole.
What is the SMILES notation for 5-(8-dibenzofuran-4-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-4-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-4-yl)phthalazin-5-yl]benzo[b]carbazole?
The canonical SMILES for 5-(8-dibenzofuran-4-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-4-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-4-yl)phthalazin-5-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4cnncc34)cccc21.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2cccc3c2oc2ccccc23)c2cnncc12.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2cccc3c2sc2ccccc23)c2cnncc12.
What is the InChIKey of 5-(8-dibenzofuran-4-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-4-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-4-yl)phthalazin-5-yl]benzo[b]carbazole?
The InChIKey is KZUCBTOXTMVTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3.C36H21N3O.C36H21N3S/c1-39(2)33-15-7-5-13-29(33)38-28(14-9-16-34(38)39)26-18-19-36(32-23-41-40-22-31(26)32)42-35-17-8-6-12-27(35)30-20-24-10-3-4-11-25(24)21-37(30)42;2*1-2-9-23-19-34-29(18-22(23)8-1)25-10-3-5-14-32(25)39(34)33-17-16-24(30-20-37-38-21-31(30)33)27-12-7-13-28-26-11-4-6-15-35(26)40-36(27)28/h3-23H,1-2H3;2*1-21H.
What are the key properties of 5-(8-dibenzofuran-4-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-4-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-4-yl)phthalazin-5-yl]benzo[b]carbazole?
5-(8-dibenzofuran-4-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-4-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-4-yl)phthalazin-5-yl]benzo[b]carbazole has a molecular weight of 1576.90 g/mol, XLogP of 29.21, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-dibenzofuran-4-ylphthalazin-5-yl)benzo[b]carbazole;5-(8-dibenzothiophen-4-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-4-yl)phthalazin-5-yl]benzo[b]carbazole is sourced from PubChem (CID 159288300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).