3-(5-benzo[b]carbazol-5-ylnaphthalen-1-yl)-7-naphthalen-1-yl-2-pyridin-2-yl-[1]benzofuro[2,3-b]pyrazine

C51H30N4O — CID 137433632

IUPAC3-(5-benzo[b]carbazol-5-ylnaphthalen-1-yl)-7-naphthalen-1-yl-2-pyridin-2-yl-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc(-c2nc3c(nc2-c2cccc4c(-n5c6ccccc6c6cc7ccccc7cc65)cccc24)oc2cc(-c4cccc5ccccc45)ccc23)nc1
InChIInChI=1S/C51H30N4O/c1-2-14-33-29-46-42(28-32(33)13-1)39-17-5-6-23-44(39)55(46)45-24-11-19-37-38(45)20-10-21-40(37)48-50(43-22-7-8-27-52-43)53-49-41-26-25-34(30-47(41)56-51(49)54-48)36-18-9-15-31-12-3-4-16-35(31)36/h1-30H
InChIKeyXPUGOFGFTXMQIA-UHFFFAOYSA-N
MW714.83 g/mol
LogP13.33
Rot. Bonds4

About 3-(5-benzo[b]carbazol-5-ylnaphthalen-1-yl)-7-naphthalen-1-yl-2-pyridin-2-yl-[1]benzofuro[2,3-b]pyrazine

3-(5-benzo[b]carbazol-5-ylnaphthalen-1-yl)-7-naphthalen-1-yl-2-pyridin-2-yl-[1]benzofuro[2,3-b]pyrazine (PubChem CID 137433632) has the molecular formula C51H30N4O and a molecular weight of 714.83 g/mol. Its IUPAC name is 3-(5-benzo[b]carbazol-5-ylnaphthalen-1-yl)-7-naphthalen-1-yl-2-pyridin-2-yl-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name3-(5-benzo[b]carbazol-5-ylnaphthalen-1-yl)-7-naphthalen-1-yl-2-pyridin-2-yl-[1]benzofuro[2,3-b]pyrazine
PubChem CID137433632
Molecular FormulaC51H30N4O
Molecular Weight714.83 g/mol
Exact Mass714.24
IUPAC Name3-(5-benzo[b]carbazol-5-ylnaphthalen-1-yl)-7-naphthalen-1-yl-2-pyridin-2-yl-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc(-c2nc3c(nc2-c2cccc4c(-n5c6ccccc6c6cc7ccccc7cc65)cccc24)oc2cc(-c4cccc5ccccc45)ccc23)nc1
InChIInChI=1S/C51H30N4O/c1-2-14-33-29-46-42(28-32(33)13-1)39-17-5-6-23-44(39)55(46)45-24-11-19-37-38(45)20-10-21-40(37)48-50(43-22-7-8-27-52-43)53-49-41-26-25-34(30-47(41)56-51(49)54-48)36-18-9-15-31-12-3-4-16-35(31)36/h1-30H
InChIKeyXPUGOFGFTXMQIA-UHFFFAOYSA-N
XLogP13.33
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.83
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine
CID 146391647
3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine
CID 146391578
2-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 174312038
5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603673
5-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603724
3-benzo[c]carbazol-7-yl-5-[5-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375849
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603586
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603616
7-benzo[b]carbazol-5-yl-5-[5-(3-dibenzofuran-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375343
5-[1-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714677
9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375982
3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole
CID 123136164

Frequently Asked Questions

What is the IUPAC name of 3-(5-benzo[b]carbazol-5-ylnaphthalen-1-yl)-7-naphthalen-1-yl-2-pyridin-2-yl-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 3-(5-benzo[b]carbazol-5-ylnaphthalen-1-yl)-7-naphthalen-1-yl-2-pyridin-2-yl-[1]benzofuro[2,3-b]pyrazine (CID 137433632) is 3-(5-benzo[b]carbazol-5-ylnaphthalen-1-yl)-7-naphthalen-1-yl-2-pyridin-2-yl-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 3-(5-benzo[b]carbazol-5-ylnaphthalen-1-yl)-7-naphthalen-1-yl-2-pyridin-2-yl-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 3-(5-benzo[b]carbazol-5-ylnaphthalen-1-yl)-7-naphthalen-1-yl-2-pyridin-2-yl-[1]benzofuro[2,3-b]pyrazine is c1ccc(-c2nc3c(nc2-c2cccc4c(-n5c6ccccc6c6cc7ccccc7cc65)cccc24)oc2cc(-c4cccc5ccccc45)ccc23)nc1.
What is the InChIKey of 3-(5-benzo[b]carbazol-5-ylnaphthalen-1-yl)-7-naphthalen-1-yl-2-pyridin-2-yl-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is XPUGOFGFTXMQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O/c1-2-14-33-29-46-42(28-32(33)13-1)39-17-5-6-23-44(39)55(46)45-24-11-19-37-38(45)20-10-21-40(37)48-50(43-22-7-8-27-52-43)53-49-41-26-25-34(30-47(41)56-51(49)54-48)36-18-9-15-31-12-3-4-16-35(31)36/h1-30H.
What are the key properties of 3-(5-benzo[b]carbazol-5-ylnaphthalen-1-yl)-7-naphthalen-1-yl-2-pyridin-2-yl-[1]benzofuro[2,3-b]pyrazine?
3-(5-benzo[b]carbazol-5-ylnaphthalen-1-yl)-7-naphthalen-1-yl-2-pyridin-2-yl-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 714.83 g/mol, XLogP of 13.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-benzo[b]carbazol-5-ylnaphthalen-1-yl)-7-naphthalen-1-yl-2-pyridin-2-yl-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 137433632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).