3-[2,6-di(carbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine

C46H28N4 — CID 89475591

IUPAC3-[2,6-di(carbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-n2c3ccccc3c3ccccc32)c(-c2cnc3c4ccccc4c4ccccc4c3n2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C46H28N4/c1-3-20-35-29(14-1)30-15-2-4-21-36(30)46-45(35)47-28-37(48-46)44-42(49-38-22-9-5-16-31(38)32-17-6-10-23-39(32)49)26-13-27-43(44)50-40-24-11-7-18-33(40)34-19-8-12-25-41(34)50/h1-28H
InChIKeyDJLZCNTVIYATJF-UHFFFAOYSA-N
MW636.76 g/mol
LogP11.80
Rot. Bonds3

About 3-[2,6-di(carbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine

3-[2,6-di(carbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 89475591) has the molecular formula C46H28N4 and a molecular weight of 636.76 g/mol. Its IUPAC name is 3-[2,6-di(carbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[2,6-di(carbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine
PubChem CID89475591
Molecular FormulaC46H28N4
Molecular Weight636.76 g/mol
Exact Mass636.23
IUPAC Name3-[2,6-di(carbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine
SMILESc1cc(-n2c3ccccc3c3ccccc32)c(-c2cnc3c4ccccc4c4ccccc4c3n2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C46H28N4/c1-3-20-35-29(14-1)30-15-2-4-21-36(30)46-45(35)47-28-37(48-46)44-42(49-38-22-9-5-16-31(38)32-17-6-10-23-39(32)49)26-13-27-43(44)50-40-24-11-7-18-33(40)34-19-8-12-25-41(34)50/h1-28H
InChIKeyDJLZCNTVIYATJF-UHFFFAOYSA-N
XLogP11.80
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.76
LogP ≤ 511.80
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

3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064038
3-[3-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064095
3-[3-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063643
3-[3-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063802
3-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89475592
3-[4-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063744
3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 58410384
3-[4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063751
3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063610
3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[2-(3-methylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[2-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 161064637
3-[3-[6-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063621
11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole
CID 138533157

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-di(carbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[2,6-di(carbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine (CID 89475591) is 3-[2,6-di(carbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[2,6-di(carbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[2,6-di(carbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine is c1cc(-n2c3ccccc3c3ccccc32)c(-c2cnc3c4ccccc4c4ccccc4c3n2)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-[2,6-di(carbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is DJLZCNTVIYATJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4/c1-3-20-35-29(14-1)30-15-2-4-21-36(30)46-45(35)47-28-37(48-46)44-42(49-38-22-9-5-16-31(38)32-17-6-10-23-39(32)49)26-13-27-43(44)50-40-24-11-7-18-33(40)34-19-8-12-25-41(34)50/h1-28H.
What are the key properties of 3-[2,6-di(carbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine?
3-[2,6-di(carbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 636.76 g/mol, XLogP of 11.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-di(carbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 89475591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).