3-dibenzofuran-3-yl-9-(8,9-dihydrodibenzofuran-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

C42H34BNO4 — CID 163629404

IUPAC3-dibenzofuran-3-yl-9-(8,9-dihydrodibenzofuran-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESCC1(C)OB(c2ccc3c(c2)c2cc(-c4ccc5c(c4)oc4ccccc45)ccc2n3-c2cccc3c4c(oc23)C=CCC4)OC1(C)C
InChIInChI=1S/C42H34BNO4/c1-41(2)42(3,4)48-43(47-41)27-18-21-35-33(24-27)32-22-25(26-16-19-30-28-10-5-7-14-37(28)45-39(30)23-26)17-20-34(32)44(35)36-13-9-12-31-29-11-6-8-15-38(29)46-40(31)36/h5,7-10,12-24H,6,11H2,1-4H3
InChIKeyHUUMCYPCDJBUJQ-UHFFFAOYSA-N
MW627.55 g/mol
LogP10.35
Rot. Bonds3

About 3-dibenzofuran-3-yl-9-(8,9-dihydrodibenzofuran-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

3-dibenzofuran-3-yl-9-(8,9-dihydrodibenzofuran-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 163629404) has the molecular formula C42H34BNO4 and a molecular weight of 627.55 g/mol. Its IUPAC name is 3-dibenzofuran-3-yl-9-(8,9-dihydrodibenzofuran-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

Molecular Properties

Compound Name3-dibenzofuran-3-yl-9-(8,9-dihydrodibenzofuran-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
PubChem CID163629404
Molecular FormulaC42H34BNO4
Molecular Weight627.55 g/mol
Exact Mass627.26
IUPAC Name3-dibenzofuran-3-yl-9-(8,9-dihydrodibenzofuran-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESCC1(C)OB(c2ccc3c(c2)c2cc(-c4ccc5c(c4)oc4ccccc45)ccc2n3-c2cccc3c4c(oc23)C=CCC4)OC1(C)C
InChIInChI=1S/C42H34BNO4/c1-41(2)42(3,4)48-43(47-41)27-18-21-35-33(24-27)32-22-25(26-16-19-30-28-10-5-7-14-37(28)45-39(30)23-26)17-20-34(32)44(35)36-13-9-12-31-29-11-6-8-15-38(29)46-40(31)36/h5,7-10,12-24H,6,11H2,1-4H3
InChIKeyHUUMCYPCDJBUJQ-UHFFFAOYSA-N
XLogP10.35
TPSA49.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.55
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-dibenzofuran-3-yl-9-(8,9-dihydrodibenzofuran-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole 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

4,4,5,5-tetramethyl-2-(7-phenyldibenzofuran-2-yl)-1,3,2-dioxaborolane
CID 168795820
2-[4-[4-(9,10-dihydrotriphenylen-2-yl)phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90295397
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
2-bromodibenzofuran;2-dibenzofuran-3-yl-4-(8-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 158135500
2-(3-dibenzofuran-2-ylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140828348
1,3,4,5,6,8-hexadeuterio-9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole
CID 169059372
2-[6-(7,8-dihydrotriphenylen-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 149245340
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
3-dibenzofuran-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 146335728
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
9-dibenzofuran-1-yl-3-iodocarbazole;bis(9-dibenzofuran-1-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole);methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159133940
4,4,5,5-tetramethyl-2-(8-naphtho[1,2-b][1]benzofuran-8-yldibenzofuran-3-yl)-1,3,2-dioxaborolane
CID 163601505

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-3-yl-9-(8,9-dihydrodibenzofuran-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The IUPAC name of 3-dibenzofuran-3-yl-9-(8,9-dihydrodibenzofuran-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (CID 163629404) is 3-dibenzofuran-3-yl-9-(8,9-dihydrodibenzofuran-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.
What is the SMILES notation for 3-dibenzofuran-3-yl-9-(8,9-dihydrodibenzofuran-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The canonical SMILES for 3-dibenzofuran-3-yl-9-(8,9-dihydrodibenzofuran-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is CC1(C)OB(c2ccc3c(c2)c2cc(-c4ccc5c(c4)oc4ccccc45)ccc2n3-c2cccc3c4c(oc23)C=CCC4)OC1(C)C.
What is the InChIKey of 3-dibenzofuran-3-yl-9-(8,9-dihydrodibenzofuran-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The InChIKey is HUUMCYPCDJBUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34BNO4/c1-41(2)42(3,4)48-43(47-41)27-18-21-35-33(24-27)32-22-25(26-16-19-30-28-10-5-7-14-37(28)45-39(30)23-26)17-20-34(32)44(35)36-13-9-12-31-29-11-6-8-15-38(29)46-40(31)36/h5,7-10,12-24H,6,11H2,1-4H3.
What are the key properties of 3-dibenzofuran-3-yl-9-(8,9-dihydrodibenzofuran-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
3-dibenzofuran-3-yl-9-(8,9-dihydrodibenzofuran-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole has a molecular weight of 627.55 g/mol, XLogP of 10.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-3-yl-9-(8,9-dihydrodibenzofuran-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is sourced from PubChem (CID 163629404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).