3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole

C46H27NS — CID 87156414

IUPAC3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole
SMILESc1cc(-c2ccc3ccc4cccc5ccc2c3c45)cc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)c1
InChIInChI=1S/C46H27NS/c1-3-16-41-36(12-1)40-27-32(35-14-7-15-39-37-13-2-4-17-43(37)48-46(35)39)22-25-42(40)47(41)33-11-6-10-31(26-33)34-23-20-30-19-18-28-8-5-9-29-21-24-38(34)45(30)44(28)29/h1-27H
InChIKeyVHWJOSZYESLBRF-UHFFFAOYSA-N
MW625.80 g/mol
LogP13.38
Rot. Bonds3

About 3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole

3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole (PubChem CID 87156414) has the molecular formula C46H27NS and a molecular weight of 625.80 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole
PubChem CID87156414
Molecular FormulaC46H27NS
Molecular Weight625.80 g/mol
Exact Mass625.19
IUPAC Name3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole
SMILESc1cc(-c2ccc3ccc4cccc5ccc2c3c45)cc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)c1
InChIInChI=1S/C46H27NS/c1-3-16-41-36(12-1)40-27-32(35-14-7-15-39-37-13-2-4-17-43(37)48-46(35)39)22-25-42(40)47(41)33-11-6-10-31(26-33)34-23-20-30-19-18-28-8-5-9-29-21-24-38(34)45(30)44(28)29/h1-27H
InChIKeyVHWJOSZYESLBRF-UHFFFAOYSA-N
XLogP13.38
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.80
LogP ≤ 513.38
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

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-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole
CID 87156475
3-dibenzothiophen-4-yl-9-perylen-2-ylcarbazole
CID 87156361
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
3-dibenzothiophen-4-yl-9-[3-[6-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole
CID 153214639
3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 158760951
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
CID 71005186
9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731
5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole
CID 172515282

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole?
The IUPAC name of 3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole (CID 87156414) is 3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole.
What is the SMILES notation for 3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole?
The canonical SMILES for 3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole is c1cc(-c2ccc3ccc4cccc5ccc2c3c45)cc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)c1.
What is the InChIKey of 3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole?
The InChIKey is VHWJOSZYESLBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NS/c1-3-16-41-36(12-1)40-27-32(35-14-7-15-39-37-13-2-4-17-43(37)48-46(35)39)22-25-42(40)47(41)33-11-6-10-31(26-33)34-23-20-30-19-18-28-8-5-9-29-21-24-38(34)45(30)44(28)29/h1-27H.
What are the key properties of 3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole?
3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole has a molecular weight of 625.80 g/mol, XLogP of 13.38, 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-(3-pyren-1-ylphenyl)carbazole is sourced from PubChem (CID 87156414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).