3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine

C31H18N4O — CID 146391647

IUPAC3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2oc3ccccc3c2nc1-c1ccncc1
InChIInChI=1S/C31H18N4O/c1-2-8-21-18-26-24(17-20(21)7-1)22-9-3-5-11-25(22)35(26)30-28(19-13-15-32-16-14-19)33-29-23-10-4-6-12-27(23)36-31(29)34-30/h1-18H
InChIKeyGKYRAUQBLUDHCD-UHFFFAOYSA-N
MW462.51 g/mol
LogP7.69
Rot. Bonds2

About 3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine

3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine (PubChem CID 146391647) has the molecular formula C31H18N4O and a molecular weight of 462.51 g/mol. Its IUPAC name is 3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine
PubChem CID146391647
Molecular FormulaC31H18N4O
Molecular Weight462.51 g/mol
Exact Mass462.15
IUPAC Name3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2oc3ccccc3c2nc1-c1ccncc1
InChIInChI=1S/C31H18N4O/c1-2-8-21-18-26-24(17-20(21)7-1)22-9-3-5-11-25(22)35(26)30-28(19-13-15-32-16-14-19)33-29-23-10-4-6-12-27(23)36-31(29)34-30/h1-18H
InChIKeyGKYRAUQBLUDHCD-UHFFFAOYSA-N
XLogP7.69
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine
CID 137433474
3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine
CID 146391578
12-carbazol-9-yl-7-(3-phenyl-[1]benzofuro[2,3-b]pyrazin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 152991325
2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine
CID 118232441
4-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-2-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidine
CID 146392168
19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 135194988
5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
CID 139361976
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
3-(8a,9,9-trimethyl-4bH-fluoren-4-yl)-2-benzo[b]carbazol-5-yl-[1]benzofuro[2,3-b]pyrazine
CID 166945090
2-benzo[b]carbazol-5-yl-4-(3,5-diphenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 137433546
3-benzo[b]carbazol-5-yl-2,7-diphenyl-[1]benzothiolo[2,3-b]pyrazine
CID 137433490
5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 139361992

Frequently Asked Questions

What is the IUPAC name of 3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine (CID 146391647) is 3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2oc3ccccc3c2nc1-c1ccncc1.
What is the InChIKey of 3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is GKYRAUQBLUDHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N4O/c1-2-8-21-18-26-24(17-20(21)7-1)22-9-3-5-11-25(22)35(26)30-28(19-13-15-32-16-14-19)33-29-23-10-4-6-12-27(23)36-31(29)34-30/h1-18H.
What are the key properties of 3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine?
3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 462.51 g/mol, XLogP of 7.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 146391647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).