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

C147H93N3O2S — CID 159248653

IUPAC2-(7,7-diphenylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[5,6-b][1]benzothiol-9-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4c(ccc6c4oc4ccccc46)C5(c4ccccc4)c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6c(sc7ccccc76)c4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6c(oc7ccccc76)c4-5)cc32)cc1
InChIInChI=1S/2C49H31NO.C49H31NS/c1-4-14-34(15-5-1)49(35-16-6-2-7-17-35)42-27-24-32(31-41(42)47-43(49)28-26-39-38-21-11-13-23-46(38)51-48(39)47)33-25-29-45-40(30-33)37-20-10-12-22-44(37)50(45)36-18-8-3-9-19-36;1-4-14-34(15-5-1)49(35-16-6-2-7-17-35)42-29-28-40-39-21-11-13-23-46(39)51-48(40)47(42)41-27-25-32(30-43(41)49)33-24-26-38-37-20-10-12-22-44(37)50(45(38)31-33)36-18-8-3-9-19-36;1-4-14-34(15-5-1)49(35-16-6-2-7-17-35)42-28-27-39-38-21-11-13-23-46(38)51-48(39)47(42)40-26-24-33(31-43(40)49)32-25-29-45-41(30-32)37-20-10-12-22-44(37)50(45)36-18-8-3-9-19-36/h3*1-31H
InChIKeyKUZSHWKCUZIURP-UHFFFAOYSA-N
MW1965.45 g/mol
LogP38.61
Rot. Bonds12

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

2-(7,7-diphenylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[5,6-b][1]benzothiol-9-yl)-9-phenylcarbazole (PubChem CID 159248653) has the molecular formula C147H93N3O2S and a molecular weight of 1965.45 g/mol. Its IUPAC name is 2-(7,7-diphenylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[5,6-b][1]benzothiol-9-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name2-(7,7-diphenylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[5,6-b][1]benzothiol-9-yl)-9-phenylcarbazole
PubChem CID159248653
Molecular FormulaC147H93N3O2S
Molecular Weight1965.45 g/mol
Exact Mass1963.70
IUPAC Name2-(7,7-diphenylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[5,6-b][1]benzothiol-9-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4c(ccc6c4oc4ccccc46)C5(c4ccccc4)c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6c(sc7ccccc76)c4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6c(oc7ccccc76)c4-5)cc32)cc1
InChIInChI=1S/2C49H31NO.C49H31NS/c1-4-14-34(15-5-1)49(35-16-6-2-7-17-35)42-27-24-32(31-41(42)47-43(49)28-26-39-38-21-11-13-23-46(38)51-48(39)47)33-25-29-45-40(30-33)37-20-10-12-22-44(37)50(45)36-18-8-3-9-19-36;1-4-14-34(15-5-1)49(35-16-6-2-7-17-35)42-29-28-40-39-21-11-13-23-46(39)51-48(40)47(42)41-27-25-32(30-43(41)49)33-24-26-38-37-20-10-12-22-44(37)50(45(38)31-33)36-18-8-3-9-19-36;1-4-14-34(15-5-1)49(35-16-6-2-7-17-35)42-28-27-39-38-21-11-13-23-46(38)51-48(39)47(42)40-26-24-33(31-43(40)49)32-25-29-45-41(30-32)37-20-10-12-22-44(37)50(45)36-18-8-3-9-19-36/h3*1-31H
InChIKeyKUZSHWKCUZIURP-UHFFFAOYSA-N
XLogP38.61
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001965.45
LogP ≤ 538.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

9-(4-dibenzofuran-4-ylphenyl)-3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
CID 118099189
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 118099198
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole
CID 118099086
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
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
N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-amine
CID 122462823
3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
CID 118098959
N,N-bis(4-dibenzofuran-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-amine;N,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-amine;7,7-dimethyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]fluoreno[4,3-b][1]benzothiol-1-amine
CID 158308488
3,6-di(dibenzofuran-4-yl)-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
CID 118098976
2-dibenzofuran-4-yl-6-[3-methyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-[3-methyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 165084340
3-[9-(3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-6-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497220
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 118099158

Frequently Asked Questions

What is the IUPAC name of 2-(7,7-diphenylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[5,6-b][1]benzothiol-9-yl)-9-phenylcarbazole?
The IUPAC name of 2-(7,7-diphenylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[5,6-b][1]benzothiol-9-yl)-9-phenylcarbazole (CID 159248653) is 2-(7,7-diphenylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[5,6-b][1]benzothiol-9-yl)-9-phenylcarbazole.
What is the SMILES notation for 2-(7,7-diphenylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[5,6-b][1]benzothiol-9-yl)-9-phenylcarbazole?
The canonical SMILES for 2-(7,7-diphenylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[5,6-b][1]benzothiol-9-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4c(ccc6c4oc4ccccc46)C5(c4ccccc4)c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6c(sc7ccccc76)c4-5)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6c(oc7ccccc76)c4-5)cc32)cc1.
What is the InChIKey of 2-(7,7-diphenylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[5,6-b][1]benzothiol-9-yl)-9-phenylcarbazole?
The InChIKey is KUZSHWKCUZIURP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H31NO.C49H31NS/c1-4-14-34(15-5-1)49(35-16-6-2-7-17-35)42-27-24-32(31-41(42)47-43(49)28-26-39-38-21-11-13-23-46(38)51-48(39)47)33-25-29-45-40(30-33)37-20-10-12-22-44(37)50(45)36-18-8-3-9-19-36;1-4-14-34(15-5-1)49(35-16-6-2-7-17-35)42-29-28-40-39-21-11-13-23-46(39)51-48(40)47(42)41-27-25-32(30-43(41)49)33-24-26-38-37-20-10-12-22-44(37)50(45(38)31-33)36-18-8-3-9-19-36;1-4-14-34(15-5-1)49(35-16-6-2-7-17-35)42-28-27-39-38-21-11-13-23-46(38)51-48(39)47(42)40-26-24-33(31-43(40)49)32-25-29-45-41(30-32)37-20-10-12-22-44(37)50(45)36-18-8-3-9-19-36/h3*1-31H.
What are the key properties of 2-(7,7-diphenylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[5,6-b][1]benzothiol-9-yl)-9-phenylcarbazole?
2-(7,7-diphenylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[5,6-b][1]benzothiol-9-yl)-9-phenylcarbazole has a molecular weight of 1965.45 g/mol, XLogP of 38.61, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-diphenylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-(7,7-diphenylfluoreno[5,6-b][1]benzothiol-9-yl)-9-phenylcarbazole is sourced from PubChem (CID 159248653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).