7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine

C31H21N3O — CID 134351434

IUPAC7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)oc4nccnc45)c3cc21
InChIInChI=1S/C31H21N3O/c1-31(2)24-9-5-3-7-19(24)22-16-23-20-8-4-6-10-26(20)34(27(23)17-25(22)31)18-11-12-21-28(15-18)35-30-29(21)32-13-14-33-30/h3-17H,1-2H3
InChIKeyHSZWAIJBAPASGQ-UHFFFAOYSA-N
MW451.53 g/mol
LogP7.78
Rot. Bonds1

About 7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine

7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine (PubChem CID 134351434) has the molecular formula C31H21N3O and a molecular weight of 451.53 g/mol. Its IUPAC name is 7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine
PubChem CID134351434
Molecular FormulaC31H21N3O
Molecular Weight451.53 g/mol
Exact Mass451.17
IUPAC Name7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)oc4nccnc45)c3cc21
InChIInChI=1S/C31H21N3O/c1-31(2)24-9-5-3-7-19(24)22-16-23-20-8-4-6-10-26(20)34(27(23)17-25(22)31)18-11-12-21-28(15-18)35-30-29(21)32-13-14-33-30/h3-17H,1-2H3
InChIKeyHSZWAIJBAPASGQ-UHFFFAOYSA-N
XLogP7.78
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzoselenolo[2,3-b]pyrazine
CID 140853004
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one
CID 125495771
7,7-dimethyl-5-pyridin-4-ylindeno[2,1-b]carbazole
CID 66805075
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole
CID 118488507
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
7-carbazol-9-yl-10,10-dimethylindeno[1,2-g]quinoxaline
CID 146356615
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126628971

Frequently Asked Questions

What is the IUPAC name of 7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine (CID 134351434) is 7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)oc4nccnc45)c3cc21.
What is the InChIKey of 7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is HSZWAIJBAPASGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3O/c1-31(2)24-9-5-3-7-19(24)22-16-23-20-8-4-6-10-26(20)34(27(23)17-25(22)31)18-11-12-21-28(15-18)35-30-29(21)32-13-14-33-30/h3-17H,1-2H3.
What are the key properties of 7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine?
7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 451.53 g/mol, XLogP of 7.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 134351434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).