9-phenyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole

C36H30BNO3 — CID 147279415

IUPAC9-phenyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole
SMILESCC1(C)OB(c2cccc3c2oc2cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c23)OC1(C)C
InChIInChI=1S/C36H30BNO3/c1-35(2)36(3,4)41-37(40-35)29-17-10-16-28-33-25(15-11-19-32(33)39-34(28)29)23-20-21-27-26-14-8-9-18-30(26)38(31(27)22-23)24-12-6-5-7-13-24/h5-22H,1-4H3
InChIKeyCRZMJISQVVUOEB-UHFFFAOYSA-N
MW535.45 g/mol
LogP8.65
Rot. Bonds3

About 9-phenyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole

9-phenyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole (PubChem CID 147279415) has the molecular formula C36H30BNO3 and a molecular weight of 535.45 g/mol. Its IUPAC name is 9-phenyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole
PubChem CID147279415
Molecular FormulaC36H30BNO3
Molecular Weight535.45 g/mol
Exact Mass535.23
IUPAC Name9-phenyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole
SMILESCC1(C)OB(c2cccc3c2oc2cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c23)OC1(C)C
InChIInChI=1S/C36H30BNO3/c1-35(2)36(3,4)41-37(40-35)29-17-10-16-28-33-25(15-11-19-32(33)39-34(28)29)23-20-21-27-26-14-8-9-18-30(26)38(31(27)22-23)24-12-6-5-7-13-24/h5-22H,1-4H3
InChIKeyCRZMJISQVVUOEB-UHFFFAOYSA-N
XLogP8.65
TPSA36.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.45
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole
CID 156903324
10-phenyl-9-[2-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828176
N-phenyl-9-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 129178935
5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 142347126
3-(9-chlorodibenzofuran-4-yl)-9-phenylcarbazole
CID 142624048
4,4,5,5-tetramethyl-2-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,2-dioxaborolane
CID 164808595
9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 147321695
2-[9-(6-dibenzofuran-1-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753215
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166509994
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800
2-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 139342501
9-(4-dibenzofuran-2-ylphenyl)-2-(9-phenylcarbazol-2-yl)-3-[6-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 167270038

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole?
The IUPAC name of 9-phenyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole (CID 147279415) is 9-phenyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole.
What is the SMILES notation for 9-phenyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole?
The canonical SMILES for 9-phenyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole is CC1(C)OB(c2cccc3c2oc2cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c23)OC1(C)C.
What is the InChIKey of 9-phenyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole?
The InChIKey is CRZMJISQVVUOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30BNO3/c1-35(2)36(3,4)41-37(40-35)29-17-10-16-28-33-25(15-11-19-32(33)39-34(28)29)23-20-21-27-26-14-8-9-18-30(26)38(31(27)22-23)24-12-6-5-7-13-24/h5-22H,1-4H3.
What are the key properties of 9-phenyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole?
9-phenyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole has a molecular weight of 535.45 g/mol, XLogP of 8.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 147279415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).