3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine

C41H27N3O — CID 146391578

IUPAC3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc4c(nc3-n3c5ccccc5c5cc6ccccc6cc53)oc3ccccc34)cc21
InChIInChI=1S/C41H27N3O/c1-41(2)32-16-8-5-13-27(32)28-20-19-26(22-33(28)41)37-39(43-40-38(42-37)30-15-7-10-18-36(30)45-40)44-34-17-9-6-14-29(34)31-21-24-11-3-4-12-25(24)23-35(31)44/h3-23H,1-2H3
InChIKeyBLXDRNCDHIOOOI-UHFFFAOYSA-N
MW577.69 g/mol
LogP10.60
Rot. Bonds2

About 3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine

3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine (PubChem CID 146391578) has the molecular formula C41H27N3O and a molecular weight of 577.69 g/mol. Its IUPAC name is 3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine
PubChem CID146391578
Molecular FormulaC41H27N3O
Molecular Weight577.69 g/mol
Exact Mass577.22
IUPAC Name3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc4c(nc3-n3c5ccccc5c5cc6ccccc6cc53)oc3ccccc34)cc21
InChIInChI=1S/C41H27N3O/c1-41(2)32-16-8-5-13-27(32)28-20-19-26(22-33(28)41)37-39(43-40-38(42-37)30-15-7-10-18-36(30)45-40)44-34-17-9-6-14-29(34)31-21-24-11-3-4-12-25(24)23-35(31)44/h3-23H,1-2H3
InChIKeyBLXDRNCDHIOOOI-UHFFFAOYSA-N
XLogP10.60
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine
CID 137433474
5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361806
8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 146375005
3-benzo[b]carbazol-5-yl-2-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 146391929
12-(9,9-dimethylfluoren-2-yl)-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 139322555
2-(3,3-dimethyl-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaen-16-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 126718509
2-benzo[b]carbazol-5-yl-3-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 149083307
2-[2-(9-benzo[b]carbazol-5-ylbenzo[c]carbazol-7-yl)-3-(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-9-carbazol-9-yl-7-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[c]carbazole
CID 166846343
2-[9-(9,9-dimethylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl]-3-phenyl-[1]benzofuro[2,3-b]pyrazine
CID 147981844
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-(9,9-dimethylfluoren-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-dimethylfluoren-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[4-(9,9-dimethylfluoren-2-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole
CID 157190729

Frequently Asked Questions

What is the IUPAC name of 3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine (CID 146391578) is 3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine is CC1(C)c2ccccc2-c2ccc(-c3nc4c(nc3-n3c5ccccc5c5cc6ccccc6cc53)oc3ccccc34)cc21.
What is the InChIKey of 3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is BLXDRNCDHIOOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3O/c1-41(2)32-16-8-5-13-27(32)28-20-19-26(22-33(28)41)37-39(43-40-38(42-37)30-15-7-10-18-36(30)45-40)44-34-17-9-6-14-29(34)31-21-24-11-3-4-12-25(24)23-35(31)44/h3-23H,1-2H3.
What are the key properties of 3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine?
3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 577.69 g/mol, XLogP of 10.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 146391578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).