9-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzothiol-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-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)-3,6-diphenylcarbazole

C165H105N3S3 — CID 162197577

IUPAC9-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzothiol-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-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)-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3ccc3c2sc2ccccc23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc4sc5ccccc5c4cc2-3)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccc4sc5ccccc5c4c2-3)cc1
InChIInChI=1S/3C55H35NS/c1-5-15-36(16-6-1)38-25-31-50-47(33-38)48-34-39(37-17-7-2-8-18-37)26-32-51(48)56(50)42-27-28-43-45-29-30-46-44-23-13-14-24-52(44)57-54(46)53(45)55(49(43)35-42,40-19-9-3-10-20-40)41-21-11-4-12-22-41;1-5-15-36(16-6-1)38-25-30-49-45(33-38)46-34-39(37-17-7-2-8-18-37)26-31-50(46)56(49)42-27-28-43-48(35-42)55(40-19-9-3-10-20-40,41-21-11-4-12-22-41)47-29-32-52-54(53(43)47)44-23-13-14-24-51(44)57-52;1-5-15-36(16-6-1)38-25-29-51-46(31-38)47-32-39(37-17-7-2-8-18-37)26-30-52(47)56(51)42-27-28-43-45-34-48-44-23-13-14-24-53(44)57-54(48)35-50(45)55(49(43)33-42,40-19-9-3-10-20-40)41-21-11-4-12-22-41/h3*1-35H
InChIKeyZRDPOVBLZTWHMT-UHFFFAOYSA-N
MW2225.88 g/mol
LogP44.55
Rot. Bonds15

About 9-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzothiol-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-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)-3,6-diphenylcarbazole

9-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzothiol-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-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)-3,6-diphenylcarbazole (PubChem CID 162197577) has the molecular formula C165H105N3S3 and a molecular weight of 2225.88 g/mol. Its IUPAC name is 9-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzothiol-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-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)-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzothiol-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-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)-3,6-diphenylcarbazole
PubChem CID162197577
Molecular FormulaC165H105N3S3
Molecular Weight2225.88 g/mol
Exact Mass2223.75
IUPAC Name9-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzothiol-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-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)-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3ccc3c2sc2ccccc23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc4sc5ccccc5c4cc2-3)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccc4sc5ccccc5c4c2-3)cc1
InChIInChI=1S/3C55H35NS/c1-5-15-36(16-6-1)38-25-31-50-47(33-38)48-34-39(37-17-7-2-8-18-37)26-32-51(48)56(50)42-27-28-43-45-29-30-46-44-23-13-14-24-52(44)57-54(46)53(45)55(49(43)35-42,40-19-9-3-10-20-40)41-21-11-4-12-22-41;1-5-15-36(16-6-1)38-25-30-49-45(33-38)46-34-39(37-17-7-2-8-18-37)26-31-50(46)56(49)42-27-28-43-48(35-42)55(40-19-9-3-10-20-40,41-21-11-4-12-22-41)47-29-32-52-54(53(43)47)44-23-13-14-24-51(44)57-52;1-5-15-36(16-6-1)38-25-29-51-46(31-38)47-32-39(37-17-7-2-8-18-37)26-30-52(47)56(51)42-27-28-43-45-34-48-44-23-13-14-24-53(44)57-54(48)35-50(45)55(49(43)33-42,40-19-9-3-10-20-40)41-21-11-4-12-22-41/h3*1-35H
InChIKeyZRDPOVBLZTWHMT-UHFFFAOYSA-N
XLogP44.55
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002225.88
LogP ≤ 544.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzothiol-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-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)-3,6-diphenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(14,14-diphenyl-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)-3,6-diphenylcarbazole
CID 118098886
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-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzofuran-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-9-oxapentacyclo[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)-3,6-diphenylcarbazole
CID 158831418
N-(4-dibenzothiophen-4-ylphenyl)-4-[6-(9,9-diphenylfluoren-2-yl)-9-triphenylen-2-ylcarbazol-3-yl]-N-phenylaniline
CID 89492150
3-[9-(7,7-dimethylfluoreno[2,3-b][1]benzothiol-9-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118099006
14,14,15,15-tetramethyl-N,N-diphenyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;9-[4-(12,12,13,13-tetramethylphenanthro[1,2-b][1]benzothiol-8-yl)phenyl]carbazole;9-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)carbazole
CID 163424763
N-[3-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-3-amine
CID 118462496
N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641615
9-[3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)phenyl]-3,6-diphenylcarbazole
CID 118098909
N-[4-[6-(9,9-diphenylfluoren-2-yl)-9-triphenylen-2-ylcarbazol-3-yl]phenyl]-N-phenyldibenzothiophen-1-amine
CID 89491968
7-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 121424797
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
CID 89426464

Frequently Asked Questions

What is the IUPAC name of 9-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzothiol-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-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)-3,6-diphenylcarbazole?
The IUPAC name of 9-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzothiol-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-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)-3,6-diphenylcarbazole (CID 162197577) is 9-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzothiol-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-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)-3,6-diphenylcarbazole.
What is the SMILES notation for 9-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzothiol-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-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)-3,6-diphenylcarbazole?
The canonical SMILES for 9-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzothiol-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-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)-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3ccc3c2sc2ccccc23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc4sc5ccccc5c4cc2-3)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccc4sc5ccccc5c4c2-3)cc1.
What is the InChIKey of 9-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzothiol-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-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)-3,6-diphenylcarbazole?
The InChIKey is ZRDPOVBLZTWHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C55H35NS/c1-5-15-36(16-6-1)38-25-31-50-47(33-38)48-34-39(37-17-7-2-8-18-37)26-32-51(48)56(50)42-27-28-43-45-29-30-46-44-23-13-14-24-52(44)57-54(46)53(45)55(49(43)35-42,40-19-9-3-10-20-40)41-21-11-4-12-22-41;1-5-15-36(16-6-1)38-25-30-49-45(33-38)46-34-39(37-17-7-2-8-18-37)26-31-50(46)56(49)42-27-28-43-48(35-42)55(40-19-9-3-10-20-40,41-21-11-4-12-22-41)47-29-32-52-54(53(43)47)44-23-13-14-24-51(44)57-52;1-5-15-36(16-6-1)38-25-29-51-46(31-38)47-32-39(37-17-7-2-8-18-37)26-30-52(47)56(51)42-27-28-43-45-34-48-44-23-13-14-24-53(44)57-54(48)35-50(45)55(49(43)33-42,40-19-9-3-10-20-40)41-21-11-4-12-22-41/h3*1-35H.
What are the key properties of 9-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzothiol-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-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)-3,6-diphenylcarbazole?
9-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzothiol-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-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)-3,6-diphenylcarbazole has a molecular weight of 2225.88 g/mol, XLogP of 44.55, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-9-yl)-3,6-diphenylcarbazole;9-(12,12-diphenylfluoreno[1,2-b][1]benzothiol-2-yl)-3,6-diphenylcarbazole;9-(14,14-diphenyl-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)-3,6-diphenylcarbazole is sourced from PubChem (CID 162197577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).