3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole

C44H27NS — CID 87156674

IUPAC3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole
SMILESc1ccc2c(c1)cc(-c1ccc(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)cc1)c1ccccc12
InChIInChI=1S/C44H27NS/c1-2-11-32-29(10-1)26-39(35-13-4-3-12-34(32)35)28-20-23-31(24-21-28)45-41-18-7-5-14-36(41)40-27-30(22-25-42(40)45)33-16-9-17-38-37-15-6-8-19-43(37)46-44(33)38/h1-27H
InChIKeyBVGIZIWYFPVDTG-UHFFFAOYSA-N
MW601.77 g/mol
LogP12.79
Rot. Bonds3

About 3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole

3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole (PubChem CID 87156674) has the molecular formula C44H27NS and a molecular weight of 601.77 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole
PubChem CID87156674
Molecular FormulaC44H27NS
Molecular Weight601.77 g/mol
Exact Mass601.19
IUPAC Name3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole
SMILESc1ccc2c(c1)cc(-c1ccc(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)cc1)c1ccccc12
InChIInChI=1S/C44H27NS/c1-2-11-32-29(10-1)26-39(35-13-4-3-12-34(32)35)28-20-23-31(24-21-28)45-41-18-7-5-14-36(41)40-27-30(22-25-42(40)45)33-16-9-17-38-37-15-6-8-19-43(37)46-44(33)38/h1-27H
InChIKeyBVGIZIWYFPVDTG-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_3', 'substructure': 'N/A'}

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Related Compounds

7-(4-dibenzothiophen-4-ylphenyl)-5-(4-phenanthren-9-ylphenyl)indolo[2,3-b]carbazole
CID 126579960
9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole
CID 87156422
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole
CID 87156475
3-dibenzothiophen-4-yl-9-(2-phenanthren-9-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(3-phenanthren-9-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(2-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-pyren-1-ylphenyl)carbazole
CID 159539858
3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158400011
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
CID 155793691
3-dibenzothiophen-4-yl-9-perylen-2-ylcarbazole
CID 87156361
9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole
CID 90180755
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole?
The IUPAC name of 3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole (CID 87156674) is 3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole.
What is the SMILES notation for 3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole?
The canonical SMILES for 3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole is c1ccc2c(c1)cc(-c1ccc(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)cc1)c1ccccc12.
What is the InChIKey of 3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole?
The InChIKey is BVGIZIWYFPVDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NS/c1-2-11-32-29(10-1)26-39(35-13-4-3-12-34(32)35)28-20-23-31(24-21-28)45-41-18-7-5-14-36(41)40-27-30(22-25-42(40)45)33-16-9-17-38-37-15-6-8-19-43(37)46-44(33)38/h1-27H.
What are the key properties of 3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole?
3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole 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-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole is sourced from PubChem (CID 87156674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).