3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-a]carbazole

C31H28BN3O2 — CID 144781048

IUPAC3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-a]carbazole
SMILESCC1(C)OB(c2ccc3c(c2)c2ccc4c(cnn4-c4ccccc4)c2n3-c2ccccc2)OC1(C)C
InChIInChI=1S/C31H28BN3O2/c1-30(2)31(3,4)37-32(36-30)21-15-17-27-25(19-21)24-16-18-28-26(20-33-35(28)23-13-9-6-10-14-23)29(24)34(27)22-11-7-5-8-12-22/h5-20H,1-4H3
InChIKeyDGCOSXFVKNNKKN-UHFFFAOYSA-N
MW485.40 g/mol
LogP6.42
Rot. Bonds3

About 3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-a]carbazole

3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-a]carbazole (PubChem CID 144781048) has the molecular formula C31H28BN3O2 and a molecular weight of 485.40 g/mol. Its IUPAC name is 3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-a]carbazole.

Molecular Properties

Compound Name3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-a]carbazole
PubChem CID144781048
Molecular FormulaC31H28BN3O2
Molecular Weight485.40 g/mol
Exact Mass485.23
IUPAC Name3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-a]carbazole
SMILESCC1(C)OB(c2ccc3c(c2)c2ccc4c(cnn4-c4ccccc4)c2n3-c2ccccc2)OC1(C)C
InChIInChI=1S/C31H28BN3O2/c1-30(2)31(3,4)37-32(36-30)21-15-17-27-25(19-21)24-16-18-28-26(20-33-35(28)23-13-9-6-10-14-23)29(24)34(27)22-11-7-5-8-12-22/h5-20H,1-4H3
InChIKeyDGCOSXFVKNNKKN-UHFFFAOYSA-N
XLogP6.42
TPSA41.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.40
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

21-phenyl-17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 90014799
9-(3,5-diphenylphenyl)-1,3-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 155600000
1,3-diphenyl-9-(3-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 155600006
5-phenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[3,2-b]indole
CID 67094792
5,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[2,3-b]indole
CID 146987468
10-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridin-9-one
CID 89182990
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 145257430
3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole
CID 163617789
11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole
CID 90014465
9-(4-bromophenyl)-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 149079009
1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 46830501
7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole
CID 140743556

Frequently Asked Questions

What is the IUPAC name of 3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-a]carbazole?
The IUPAC name of 3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-a]carbazole (CID 144781048) is 3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-a]carbazole.
What is the SMILES notation for 3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-a]carbazole?
The canonical SMILES for 3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-a]carbazole is CC1(C)OB(c2ccc3c(c2)c2ccc4c(cnn4-c4ccccc4)c2n3-c2ccccc2)OC1(C)C.
What is the InChIKey of 3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-a]carbazole?
The InChIKey is DGCOSXFVKNNKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28BN3O2/c1-30(2)31(3,4)37-32(36-30)21-15-17-27-25(19-21)24-16-18-28-26(20-33-35(28)23-13-9-6-10-14-23)29(24)34(27)22-11-7-5-8-12-22/h5-20H,1-4H3.
What are the key properties of 3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-a]carbazole?
3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-a]carbazole has a molecular weight of 485.40 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-a]carbazole is sourced from PubChem (CID 144781048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).