3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole

C44H27NS — CID 90310025

IUPAC3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
SMILESc1cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3sc4ccccc4c23)cc(-c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C44H27NS/c1-3-15-33-30(11-1)26-31-12-2-4-16-34(31)43(33)32-14-9-13-28(25-32)29-23-24-39-37(27-29)35-17-5-7-19-38(35)45(39)40-20-10-22-42-44(40)36-18-6-8-21-41(36)46-42/h1-27H
InChIKeyRZCCOVJSMFFCMF-UHFFFAOYSA-N
MW601.77 g/mol
LogP12.79
Rot. Bonds3

About 3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole

3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole (PubChem CID 90310025) has the molecular formula C44H27NS and a molecular weight of 601.77 g/mol. Its IUPAC name is 3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole.

Molecular Properties

Compound Name3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
PubChem CID90310025
Molecular FormulaC44H27NS
Molecular Weight601.77 g/mol
Exact Mass601.19
IUPAC Name3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
SMILESc1cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3sc4ccccc4c23)cc(-c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C44H27NS/c1-3-15-33-30(11-1)26-31-12-2-4-16-34(31)43(33)32-14-9-13-28(25-32)29-23-24-39-37(27-29)35-17-5-7-19-38(35)45(39)40-20-10-22-42-44(40)36-18-6-8-21-41(36)46-42/h1-27H
InChIKeyRZCCOVJSMFFCMF-UHFFFAOYSA-N
XLogP12.79
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.77
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole
CID 167289270
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenanthren-1-ylcarbazole
CID 163630750
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
CID 167243987
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 90291697
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 118086520
2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243474
8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
CID 167243638

Frequently Asked Questions

What is the IUPAC name of 3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole?
The IUPAC name of 3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole (CID 90310025) is 3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole.
What is the SMILES notation for 3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole?
The canonical SMILES for 3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole is c1cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3sc4ccccc4c23)cc(-c2c3ccccc3cc3ccccc23)c1.
What is the InChIKey of 3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole?
The InChIKey is RZCCOVJSMFFCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NS/c1-3-15-33-30(11-1)26-31-12-2-4-16-34(31)43(33)32-14-9-13-28(25-32)29-23-24-39-37(27-29)35-17-5-7-19-38(35)45(39)40-20-10-22-42-44(40)36-18-6-8-21-41(36)46-42/h1-27H.
What are the key properties of 3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole?
3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole has a molecular weight of 601.77 g/mol, XLogP of 12.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole is sourced from PubChem (CID 90310025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).