3-(8a,9,9-trimethyl-4bH-fluoren-4-yl)-2-benzo[b]carbazol-5-yl-[1]benzofuro[2,3-b]pyrazine

C42H31N3O — CID 166945090

IUPAC3-(8a,9,9-trimethyl-4bH-fluoren-4-yl)-2-benzo[b]carbazol-5-yl-[1]benzofuro[2,3-b]pyrazine
SMILESCC1(C)c2cccc(-c3nc4oc5ccccc5c4nc3-n3c4ccccc4c4cc5ccccc5cc43)c2C2C=CC=CC21C
InChIInChI=1S/C42H31N3O/c1-41(2)31-19-12-17-29(36(31)32-18-10-11-22-42(32,41)3)37-39(43-38-28-16-7-9-21-35(28)46-40(38)44-37)45-33-20-8-6-15-27(33)30-23-25-13-4-5-14-26(25)24-34(30)45/h4-24,32H,1-3H3
InChIKeyVQOQGVPNKGSAMP-UHFFFAOYSA-N
MW593.73 g/mol
LogP10.80
Rot. Bonds2

About 3-(8a,9,9-trimethyl-4bH-fluoren-4-yl)-2-benzo[b]carbazol-5-yl-[1]benzofuro[2,3-b]pyrazine

3-(8a,9,9-trimethyl-4bH-fluoren-4-yl)-2-benzo[b]carbazol-5-yl-[1]benzofuro[2,3-b]pyrazine (PubChem CID 166945090) has the molecular formula C42H31N3O and a molecular weight of 593.73 g/mol. Its IUPAC name is 3-(8a,9,9-trimethyl-4bH-fluoren-4-yl)-2-benzo[b]carbazol-5-yl-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name3-(8a,9,9-trimethyl-4bH-fluoren-4-yl)-2-benzo[b]carbazol-5-yl-[1]benzofuro[2,3-b]pyrazine
PubChem CID166945090
Molecular FormulaC42H31N3O
Molecular Weight593.73 g/mol
Exact Mass593.25
IUPAC Name3-(8a,9,9-trimethyl-4bH-fluoren-4-yl)-2-benzo[b]carbazol-5-yl-[1]benzofuro[2,3-b]pyrazine
SMILESCC1(C)c2cccc(-c3nc4oc5ccccc5c4nc3-n3c4ccccc4c4cc5ccccc5cc43)c2C2C=CC=CC21C
InChIInChI=1S/C42H31N3O/c1-41(2)31-19-12-17-29(36(31)32-18-10-11-22-42(32,41)3)37-39(43-38-28-16-7-9-21-35(28)46-40(38)44-37)45-33-20-8-6-15-27(33)30-23-25-13-4-5-14-26(25)24-34(30)45/h4-24,32H,1-3H3
InChIKeyVQOQGVPNKGSAMP-UHFFFAOYSA-N
XLogP10.80
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.73
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(8a,9,9-trimethyl-4bH-fluoren-4-yl)-2-benzo[b]carbazol-5-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-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine
CID 146391578
3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine
CID 146391647
5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
CID 139361976
2-benzo[b]carbazol-5-yl-3-dibenzofuran-1-yl-[1]benzothiolo[2,3-b]pyrazine
CID 146391818
3-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]pyrazine
CID 137433474
4-benzo[b]carbazol-5-yl-2-(9,9'-spirobi[fluorene]-4'-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 146392119
2-benzo[b]carbazol-5-yl-4-(9,9'-spirobi[fluorene]-4'-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 137433742
2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 153453065
3-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-2-dibenzothiophen-1-yl-[1]benzofuro[2,3-b]pyrazine
CID 137433907
11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375025
5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole
CID 139361909
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

Frequently Asked Questions

What is the IUPAC name of 3-(8a,9,9-trimethyl-4bH-fluoren-4-yl)-2-benzo[b]carbazol-5-yl-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 3-(8a,9,9-trimethyl-4bH-fluoren-4-yl)-2-benzo[b]carbazol-5-yl-[1]benzofuro[2,3-b]pyrazine (CID 166945090) is 3-(8a,9,9-trimethyl-4bH-fluoren-4-yl)-2-benzo[b]carbazol-5-yl-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 3-(8a,9,9-trimethyl-4bH-fluoren-4-yl)-2-benzo[b]carbazol-5-yl-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 3-(8a,9,9-trimethyl-4bH-fluoren-4-yl)-2-benzo[b]carbazol-5-yl-[1]benzofuro[2,3-b]pyrazine is CC1(C)c2cccc(-c3nc4oc5ccccc5c4nc3-n3c4ccccc4c4cc5ccccc5cc43)c2C2C=CC=CC21C.
What is the InChIKey of 3-(8a,9,9-trimethyl-4bH-fluoren-4-yl)-2-benzo[b]carbazol-5-yl-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is VQOQGVPNKGSAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3O/c1-41(2)31-19-12-17-29(36(31)32-18-10-11-22-42(32,41)3)37-39(43-38-28-16-7-9-21-35(28)46-40(38)44-37)45-33-20-8-6-15-27(33)30-23-25-13-4-5-14-26(25)24-34(30)45/h4-24,32H,1-3H3.
What are the key properties of 3-(8a,9,9-trimethyl-4bH-fluoren-4-yl)-2-benzo[b]carbazol-5-yl-[1]benzofuro[2,3-b]pyrazine?
3-(8a,9,9-trimethyl-4bH-fluoren-4-yl)-2-benzo[b]carbazol-5-yl-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 593.73 g/mol, XLogP of 10.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8a,9,9-trimethyl-4bH-fluoren-4-yl)-2-benzo[b]carbazol-5-yl-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 166945090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).