2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole

C180H124N4O2S2 — CID 159042536

IUPAC2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)ccc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2cc(-c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c3)ccc2-c2ccc3oc4ccccc4c3c21.CC1(C)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cc2-c2ccc3oc4ccccc4c3c21
InChIInChI=1S/2C45H31NO.2C45H31NS/c1-45(2)38-21-17-30(25-35(38)33-20-24-42-43(44(33)45)34-15-9-10-16-41(34)47-42)31-19-23-40-37(27-31)36-26-29(28-11-5-3-6-12-28)18-22-39(36)46(40)32-13-7-4-8-14-32;1-45(2)38-26-30(17-20-33(38)35-22-24-42-43(44(35)45)36-15-9-10-16-41(36)47-42)31-18-21-34-37-25-29(28-11-5-3-6-12-28)19-23-39(37)46(40(34)27-31)32-13-7-4-8-14-32;1-45(2)38-21-17-30(27-37(38)43-39(45)22-20-34-33-15-9-10-16-42(33)47-44(34)43)31-19-24-41-36(26-31)35-25-29(28-11-5-3-6-12-28)18-23-40(35)46(41)32-13-7-4-8-14-32;1-45(2)38-22-21-34-33-15-9-10-16-42(33)47-44(34)43(38)35-20-17-31(27-39(35)45)30-19-24-41-37(26-30)36-25-29(28-11-5-3-6-12-28)18-23-40(36)46(41)32-13-7-4-8-14-32/h4*3-27H,1-2H3
InChIKeyJWGBNXXUGZMOKU-UHFFFAOYSA-N
MW2439.13 g/mol
LogP50.23
Rot. Bonds12

About 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole

2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole (PubChem CID 159042536) has the molecular formula C180H124N4O2S2 and a molecular weight of 2439.13 g/mol. Its IUPAC name is 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole.

Molecular Properties

Compound Name2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole
PubChem CID159042536
Molecular FormulaC180H124N4O2S2
Molecular Weight2439.13 g/mol
Exact Mass2436.92
IUPAC Name2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)ccc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2cc(-c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c3)ccc2-c2ccc3oc4ccccc4c3c21.CC1(C)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cc2-c2ccc3oc4ccccc4c3c21
InChIInChI=1S/2C45H31NO.2C45H31NS/c1-45(2)38-21-17-30(25-35(38)33-20-24-42-43(44(33)45)34-15-9-10-16-41(34)47-42)31-19-23-40-37(27-31)36-26-29(28-11-5-3-6-12-28)18-22-39(36)46(40)32-13-7-4-8-14-32;1-45(2)38-26-30(17-20-33(38)35-22-24-42-43(44(35)45)36-15-9-10-16-41(36)47-42)31-18-21-34-37-25-29(28-11-5-3-6-12-28)19-23-39(37)46(40(34)27-31)32-13-7-4-8-14-32;1-45(2)38-21-17-30(27-37(38)43-39(45)22-20-34-33-15-9-10-16-42(33)47-44(34)43)31-19-24-41-36(26-31)35-25-29(28-11-5-3-6-12-28)18-23-40(35)46(41)32-13-7-4-8-14-32;1-45(2)38-22-21-34-33-15-9-10-16-42(33)47-44(34)43(38)35-20-17-31(27-39(35)45)30-19-24-41-37(26-30)36-25-29(28-11-5-3-6-12-28)18-23-40(36)46(41)32-13-7-4-8-14-32/h4*3-27H,1-2H3
InChIKeyJWGBNXXUGZMOKU-UHFFFAOYSA-N
XLogP50.23
TPSA46.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms188
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002439.13
LogP ≤ 550.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole with MolForge

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Related Compounds

3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole
CID 159827512
3-dibenzofuran-4-yl-6-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole
CID 158774587
9-[3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)phenyl]-3,6-diphenylcarbazole
CID 118098909
3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099089
3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
CID 118098959
3-[9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole
CID 118099028
9-[4-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)phenyl]-3,6-diphenylcarbazole;9-[4-(11,11-dimethylfluoreno[3,2-b][1]benzothiol-9-yl)phenyl]-3,6-diphenylcarbazole;9-[4-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-10-yl)phenyl]-3,6-diphenylcarbazole;9-[4-(14,14-dimethyl-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)phenyl]-3,6-diphenylcarbazole
CID 161365898
9-(4-dibenzofuran-4-ylphenyl)-3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
CID 118099189
9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)carbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)-6-phenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-3-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)carbazole
CID 160530149
9-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-3,6-diphenylcarbazole;9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)-3,6-diphenylcarbazole;9-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole
CID 157191783
2-dibenzofuran-2-yl-9-(3-triphenylen-2-ylphenyl)carbazole;2-dibenzothiophen-2-yl-9-(3-triphenylen-2-ylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3,6-diphenyl-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 158234145
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole
CID 118099086

Frequently Asked Questions

What is the IUPAC name of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole?
The IUPAC name of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole (CID 159042536) is 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole.
What is the SMILES notation for 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole?
The canonical SMILES for 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole is CC1(C)c2cc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)ccc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2cc(-c3ccc4c5cc(-c6ccccc6)ccc5n(-c5ccccc5)c4c3)ccc2-c2ccc3oc4ccccc4c3c21.CC1(C)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cc2-c2ccc3oc4ccccc4c3c21.
What is the InChIKey of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole?
The InChIKey is JWGBNXXUGZMOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H31NO.2C45H31NS/c1-45(2)38-21-17-30(25-35(38)33-20-24-42-43(44(33)45)34-15-9-10-16-41(34)47-42)31-19-23-40-37(27-31)36-26-29(28-11-5-3-6-12-28)18-22-39(36)46(40)32-13-7-4-8-14-32;1-45(2)38-26-30(17-20-33(38)35-22-24-42-43(44(35)45)36-15-9-10-16-41(36)47-42)31-18-21-34-37-25-29(28-11-5-3-6-12-28)19-23-39(37)46(40(34)27-31)32-13-7-4-8-14-32;1-45(2)38-21-17-30(27-37(38)43-39(45)22-20-34-33-15-9-10-16-42(33)47-44(34)43)31-19-24-41-36(26-31)35-25-29(28-11-5-3-6-12-28)18-23-40(35)46(41)32-13-7-4-8-14-32;1-45(2)38-22-21-34-33-15-9-10-16-42(33)47-44(34)43(38)35-20-17-31(27-39(35)45)30-19-24-41-37(26-30)36-25-29(28-11-5-3-6-12-28)18-23-40(36)46(41)32-13-7-4-8-14-32/h4*3-27H,1-2H3.
What are the key properties of 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole?
2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole has a molecular weight of 2439.13 g/mol, XLogP of 50.23, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole;3-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-6,9-diphenylcarbazole;3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6,9-diphenylcarbazole is sourced from PubChem (CID 159042536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).