9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole

C49H33NS — CID 118098849

IUPAC9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole
SMILESCC1(C)c2cc(-n3c4ccccc4c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc43)ccc2-c2c1ccc1c2sc2ccccc21
InChIInChI=1S/C49H33NS/c1-49(2)42-26-25-39-38-14-6-8-17-46(38)51-48(39)47(42)40-24-23-34(29-43(40)49)50-44-16-7-5-13-37(44)41-28-33(22-27-45(41)50)30-18-20-32(21-19-30)36-15-9-11-31-10-3-4-12-35(31)36/h3-29H,1-2H3
InChIKeyRCIGWHXQLAPAQV-UHFFFAOYSA-N
MW667.88 g/mol
LogP13.95
Rot. Bonds3

About 9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole

9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole (PubChem CID 118098849) has the molecular formula C49H33NS and a molecular weight of 667.88 g/mol. Its IUPAC name is 9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole.

Molecular Properties

Compound Name9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole
PubChem CID118098849
Molecular FormulaC49H33NS
Molecular Weight667.88 g/mol
Exact Mass667.23
IUPAC Name9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole
SMILESCC1(C)c2cc(-n3c4ccccc4c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc43)ccc2-c2c1ccc1c2sc2ccccc21
InChIInChI=1S/C49H33NS/c1-49(2)42-26-25-39-38-14-6-8-17-46(38)51-48(39)47(42)40-24-23-34(29-43(40)49)50-44-16-7-5-13-37(44)41-28-33(22-27-45(41)50)30-18-20-32(21-19-30)36-15-9-11-31-10-3-4-12-35(31)36/h3-29H,1-2H3
InChIKeyRCIGWHXQLAPAQV-UHFFFAOYSA-N
XLogP13.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.88
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole 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-[3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)phenyl]-3,6-diphenylcarbazole
CID 118098909
3-dibenzofuran-2-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
CID 118098959
9-(4-dibenzofuran-4-ylphenyl)-3-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
CID 118099189
3,6-di(dibenzofuran-4-yl)-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)carbazole
CID 118098976
3-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;6-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 160932250
3-dibenzofuran-4-yl-9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-6-(8-methyldibenzofuran-4-yl)carbazole
CID 134511649
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
9-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118475197
3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole
CID 87156414
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-naphthalen-1-ylphenyl]-9-(4-phenylphenyl)carbazole;3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158437914
17-[3-(6-benzo[c]phenanthren-5-ylnaphthalen-2-yl)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-[3-carbazol-9-yl-5-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]carbazole;12,12-dimethyl-17-naphthalen-1-yl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene;12,12-dimethyl-9-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;4-[3-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)phenyl]dibenzothiophene
CID 159885465
5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 160917580

Frequently Asked Questions

What is the IUPAC name of 9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole?
The IUPAC name of 9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole (CID 118098849) is 9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole.
What is the SMILES notation for 9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole?
The canonical SMILES for 9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole is CC1(C)c2cc(-n3c4ccccc4c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc43)ccc2-c2c1ccc1c2sc2ccccc21.
What is the InChIKey of 9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole?
The InChIKey is RCIGWHXQLAPAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NS/c1-49(2)42-26-25-39-38-14-6-8-17-46(38)51-48(39)47(42)40-24-23-34(29-43(40)49)50-44-16-7-5-13-37(44)41-28-33(22-27-45(41)50)30-18-20-32(21-19-30)36-15-9-11-31-10-3-4-12-35(31)36/h3-29H,1-2H3.
What are the key properties of 9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole?
9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole has a molecular weight of 667.88 g/mol, XLogP of 13.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole is sourced from PubChem (CID 118098849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).