5,11-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-b]carbazole

C36H31BN2O2 — CID 58453878

IUPAC5,11-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-b]carbazole
SMILESCC1(C)OB(c2ccc3c(c2)c2cc4c(cc2n3-c2ccccc2)c2ccccc2n4-c2ccccc2)OC1(C)C
InChIInChI=1S/C36H31BN2O2/c1-35(2)36(3,4)41-37(40-35)24-19-20-32-28(21-24)30-23-33-29(22-34(30)39(32)26-15-9-6-10-16-26)27-17-11-12-18-31(27)38(33)25-13-7-5-8-14-25/h5-23H,1-4H3
InChIKeySUPAGWNMDDCVBZ-UHFFFAOYSA-N
MW534.47 g/mol
LogP8.18
Rot. Bonds3

About 5,11-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-b]carbazole

5,11-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-b]carbazole (PubChem CID 58453878) has the molecular formula C36H31BN2O2 and a molecular weight of 534.47 g/mol. Its IUPAC name is 5,11-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5,11-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-b]carbazole
PubChem CID58453878
Molecular FormulaC36H31BN2O2
Molecular Weight534.47 g/mol
Exact Mass534.25
IUPAC Name5,11-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-b]carbazole
SMILESCC1(C)OB(c2ccc3c(c2)c2cc4c(cc2n3-c2ccccc2)c2ccccc2n4-c2ccccc2)OC1(C)C
InChIInChI=1S/C36H31BN2O2/c1-35(2)36(3,4)41-37(40-35)24-19-20-32-28(21-24)30-23-33-29(22-34(30)39(32)26-15-9-6-10-16-26)27-17-11-12-18-31(27)38(33)25-13-7-5-8-14-25/h5-23H,1-4H3
InChIKeySUPAGWNMDDCVBZ-UHFFFAOYSA-N
XLogP8.18
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.47
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,11-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-b]carbazole?
The IUPAC name of 5,11-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-b]carbazole (CID 58453878) is 5,11-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-b]carbazole.
What is the SMILES notation for 5,11-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-b]carbazole?
The canonical SMILES for 5,11-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-b]carbazole is CC1(C)OB(c2ccc3c(c2)c2cc4c(cc2n3-c2ccccc2)c2ccccc2n4-c2ccccc2)OC1(C)C.
What is the InChIKey of 5,11-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-b]carbazole?
The InChIKey is SUPAGWNMDDCVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31BN2O2/c1-35(2)36(3,4)41-37(40-35)24-19-20-32-28(21-24)30-23-33-29(22-34(30)39(32)26-15-9-6-10-16-26)27-17-11-12-18-31(27)38(33)25-13-7-5-8-14-25/h5-23H,1-4H3.
What are the key properties of 5,11-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-b]carbazole?
5,11-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-b]carbazole has a molecular weight of 534.47 g/mol, XLogP of 8.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-b]carbazole is sourced from PubChem (CID 58453878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).