3-[9-(5,5-diphenyldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole

C54H36N2S — CID 137466559

IUPAC3-[9-(5,5-diphenyldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)-c4ccccc4S5(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C54H36N2S/c1-4-16-39(17-5-1)55-49-25-13-10-22-43(49)46-34-37(28-31-51(46)55)38-29-32-52-47(35-38)44-23-11-14-26-50(44)56(52)40-30-33-54-48(36-40)45-24-12-15-27-53(45)57(54,41-18-6-2-7-19-41)42-20-8-3-9-21-42/h1-36H
InChIKeyGIOINRQKCNMAOY-UHFFFAOYSA-N
MW744.96 g/mol
LogP14.87
Rot. Bonds5

About 3-[9-(5,5-diphenyldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(5,5-diphenyldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 137466559) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is 3-[9-(5,5-diphenyldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(5,5-diphenyldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID137466559
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC Name3-[9-(5,5-diphenyldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)-c4ccccc4S5(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C54H36N2S/c1-4-16-39(17-5-1)55-49-25-13-10-22-43(49)46-34-37(28-31-51(46)55)38-29-32-52-47(35-38)44-23-11-14-26-50(44)56(52)40-30-33-54-48(36-40)45-24-12-15-27-53(45)57(54,41-18-6-2-7-19-41)42-20-8-3-9-21-42/h1-36H
InChIKeyGIOINRQKCNMAOY-UHFFFAOYSA-N
XLogP14.87
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.96
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-[5-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)dibenzothiophen-5-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 58489546
3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole
CID 144938389
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168

Frequently Asked Questions

What is the IUPAC name of 3-[9-(5,5-diphenyldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(5,5-diphenyldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole (CID 137466559) is 3-[9-(5,5-diphenyldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(5,5-diphenyldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(5,5-diphenyldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)-c4ccccc4S5(c4ccccc4)c4ccccc4)ccc32)cc1.
What is the InChIKey of 3-[9-(5,5-diphenyldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is GIOINRQKCNMAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S/c1-4-16-39(17-5-1)55-49-25-13-10-22-43(49)46-34-37(28-31-51(46)55)38-29-32-52-47(35-38)44-23-11-14-26-50(44)56(52)40-30-33-54-48(36-40)45-24-12-15-27-53(45)57(54,41-18-6-2-7-19-41)42-20-8-3-9-21-42/h1-36H.
What are the key properties of 3-[9-(5,5-diphenyldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(5,5-diphenyldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 744.96 g/mol, XLogP of 14.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(5,5-diphenyldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 137466559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).