7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine

C52H31N3S — CID 89417098

IUPAC7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc3c(c2)c2cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc2c2nccnc32)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C52H31N3S/c1-4-19-47-39(14-1)40-15-2-5-20-48(40)55(47)37-13-8-11-33(29-37)35-23-25-43-46(31-35)45-30-34(22-24-42(45)50-51(43)54-27-26-53-50)32-10-7-12-36(28-32)38-17-9-18-44-41-16-3-6-21-49(41)56-52(38)44/h1-31H
InChIKeySRZAEZQVFVKVDZ-UHFFFAOYSA-N
MW729.91 g/mol
LogP14.40
Rot. Bonds4

About 7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine

7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine (PubChem CID 89417098) has the molecular formula C52H31N3S and a molecular weight of 729.91 g/mol. Its IUPAC name is 7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
PubChem CID89417098
Molecular FormulaC52H31N3S
Molecular Weight729.91 g/mol
Exact Mass729.22
IUPAC Name7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
SMILESc1cc(-c2ccc3c(c2)c2cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc2c2nccnc32)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C52H31N3S/c1-4-19-47-39(14-1)40-15-2-5-20-48(40)55(47)37-13-8-11-33(29-37)35-23-25-43-46(31-35)45-30-34(22-24-42(45)50-51(43)54-27-26-53-50)32-10-7-12-36(28-32)38-17-9-18-44-41-16-3-6-21-49(41)56-52(38)44/h1-31H
InChIKeySRZAEZQVFVKVDZ-UHFFFAOYSA-N
XLogP14.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.91
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 122693061
10-[4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063275
9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 161133194
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281
10-[4-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063369
7-(3-carbazol-9-ylphenyl)-10-phenylphenanthro[9,10-b]pyrazine
CID 88858520

Frequently Asked Questions

What is the IUPAC name of 7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine (CID 89417098) is 7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine is c1cc(-c2ccc3c(c2)c2cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc2c2nccnc32)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine?
The InChIKey is SRZAEZQVFVKVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3S/c1-4-19-47-39(14-1)40-15-2-5-20-48(40)55(47)37-13-8-11-33(29-37)35-23-25-43-46(31-35)45-30-34(22-24-42(45)50-51(43)54-27-26-53-50)32-10-7-12-36(28-32)38-17-9-18-44-41-16-3-6-21-49(41)56-52(38)44/h1-31H.
What are the key properties of 7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine?
7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine has a molecular weight of 729.91 g/mol, XLogP of 14.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 89417098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).