2-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)-9-[4-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-yl]carbazole

C57H40N2S — CID 166962609

IUPAC2-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)-9-[4-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(C8=CC=CCC8)c7c6)cc54)cc4c3sc3ccccc34)cccc21
InChIInChI=1S/C57H40N2S/c1-57(2)48-22-10-6-20-45(48)55-44(21-14-23-49(55)57)47-34-38(33-46-43-19-9-13-26-54(43)60-56(46)47)59-51-25-12-8-18-40(51)42-30-28-36(32-53(42)59)35-27-29-41-39-17-7-11-24-50(39)58(52(41)31-35)37-15-4-3-5-16-37/h3-4,6-15,17-34H,5,16H2,1-2H3
InChIKeyOVDFFIIYJZPNRJ-UHFFFAOYSA-N
MW785.03 g/mol
LogP16.09
Rot. Bonds4

About 2-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)-9-[4-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-yl]carbazole

2-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)-9-[4-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-yl]carbazole (PubChem CID 166962609) has the molecular formula C57H40N2S and a molecular weight of 785.03 g/mol. Its IUPAC name is 2-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)-9-[4-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name2-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)-9-[4-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-yl]carbazole
PubChem CID166962609
Molecular FormulaC57H40N2S
Molecular Weight785.03 g/mol
Exact Mass784.29
IUPAC Name2-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)-9-[4-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3cc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(C8=CC=CCC8)c7c6)cc54)cc4c3sc3ccccc34)cccc21
InChIInChI=1S/C57H40N2S/c1-57(2)48-22-10-6-20-45(48)55-44(21-14-23-49(55)57)47-34-38(33-46-43-19-9-13-26-54(43)60-56(46)47)59-51-25-12-8-18-40(51)42-30-28-36(32-53(42)59)35-27-29-41-39-17-7-11-24-50(39)58(52(41)31-35)37-15-4-3-5-16-37/h3-4,6-15,17-34H,5,16H2,1-2H3
InChIKeyOVDFFIIYJZPNRJ-UHFFFAOYSA-N
XLogP16.09
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.03
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)-9-[4-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-yl]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

2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 130264768
2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-phenyldibenzothiophen-2-yl)phenyl]-9-phenylcarbazole;9-phenyl-2-[3-(4-phenyldibenzothiophen-2-yl)-5-(3-phenylphenyl)phenyl]carbazole;9-phenyl-2-[3-(4-phenyldibenzothiophen-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 157154828
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethylindeno[1,2-a]carbazole
CID 130265276
9-cyclohexa-1,3-dien-1-yl-3-(6-methyldibenzothiophen-3-yl)carbazole
CID 142364398
N-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine
CID 170286545
5-cyclohexa-1,3-dien-1-yl-3-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzofuro[3,2-c]carbazole
CID 163477531
1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 170203697
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
9-(7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-yl)-3-(4-naphthalen-1-ylphenyl)carbazole
CID 118098849
9-(1-dibenzothiophen-4-yldibenzofuran-3-yl)-3-(9,9-dimethylfluoren-3-yl)carbazole
CID 163914727
5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 160965207
5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 134569448

Frequently Asked Questions

What is the IUPAC name of 2-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)-9-[4-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-yl]carbazole?
The IUPAC name of 2-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)-9-[4-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-yl]carbazole (CID 166962609) is 2-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)-9-[4-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 2-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)-9-[4-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 2-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)-9-[4-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-yl]carbazole is CC1(C)c2ccccc2-c2c(-c3cc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(C8=CC=CCC8)c7c6)cc54)cc4c3sc3ccccc34)cccc21.
What is the InChIKey of 2-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)-9-[4-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-yl]carbazole?
The InChIKey is OVDFFIIYJZPNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2S/c1-57(2)48-22-10-6-20-45(48)55-44(21-14-23-49(55)57)47-34-38(33-46-43-19-9-13-26-54(43)60-56(46)47)59-51-25-12-8-18-40(51)42-30-28-36(32-53(42)59)35-27-29-41-39-17-7-11-24-50(39)58(52(41)31-35)37-15-4-3-5-16-37/h3-4,6-15,17-34H,5,16H2,1-2H3.
What are the key properties of 2-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)-9-[4-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-yl]carbazole?
2-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)-9-[4-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-yl]carbazole has a molecular weight of 785.03 g/mol, XLogP of 16.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)-9-[4-(9,9-dimethylfluoren-4-yl)dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 166962609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).