1,3-diphenyl-9-(3-phenylphenyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

C42H36BNO2 — CID 155599999

IUPAC1,3-diphenyl-9-(3-phenylphenyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESCC1(C)OB(c2cccc3c4cc(-c5ccccc5)cc(-c5ccccc5)c4n(-c4cccc(-c5ccccc5)c4)c23)OC1(C)C
InChIInChI=1S/C42H36BNO2/c1-41(2)42(3,4)46-43(45-41)38-25-15-24-35-37-28-33(30-18-10-6-11-19-30)27-36(31-20-12-7-13-21-31)39(37)44(40(35)38)34-23-14-22-32(26-34)29-16-8-5-9-17-29/h5-28H,1-4H3
InChIKeyAMWRMLLMUVELBC-UHFFFAOYSA-N
MW597.57 g/mol
LogP10.08
Rot. Bonds5

About 1,3-diphenyl-9-(3-phenylphenyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

1,3-diphenyl-9-(3-phenylphenyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 155599999) has the molecular formula C42H36BNO2 and a molecular weight of 597.57 g/mol. Its IUPAC name is 1,3-diphenyl-9-(3-phenylphenyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

Molecular Properties

Compound Name1,3-diphenyl-9-(3-phenylphenyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
PubChem CID155599999
Molecular FormulaC42H36BNO2
Molecular Weight597.57 g/mol
Exact Mass597.28
IUPAC Name1,3-diphenyl-9-(3-phenylphenyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESCC1(C)OB(c2cccc3c4cc(-c5ccccc5)cc(-c5ccccc5)c4n(-c4cccc(-c5ccccc5)c4)c23)OC1(C)C
InChIInChI=1S/C42H36BNO2/c1-41(2)42(3,4)46-43(45-41)38-25-15-24-35-37-28-33(30-18-10-6-11-19-30)27-36(31-20-12-7-13-21-31)39(37)44(40(35)38)34-23-14-22-32(26-34)29-16-8-5-9-17-29/h5-28H,1-4H3
InChIKeyAMWRMLLMUVELBC-UHFFFAOYSA-N
XLogP10.08
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.57
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-diphenyl-9-(3-phenylphenyl)-8-(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

9-(3-phenylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 141377786
1,3-diphenyl-9-(3-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 155600006
9-(3,5-diphenylphenyl)-1,3-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 155600000
2-(6,8-diphenyldibenzothiophen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 131745817
9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
CID 126503570
11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole
CID 90014465
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
2-(2,6-diphenyldibenzothiophen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164884891
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,9-diphenylcarbazole
CID 170072372
3,6-bis(4-phenylphenyl)-9-[4-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 156710666
3-bromo-6-phenyl-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 158301935
1,2,5-triphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,1-a]isoquinoline
CID 167328750

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-9-(3-phenylphenyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The IUPAC name of 1,3-diphenyl-9-(3-phenylphenyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (CID 155599999) is 1,3-diphenyl-9-(3-phenylphenyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.
What is the SMILES notation for 1,3-diphenyl-9-(3-phenylphenyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The canonical SMILES for 1,3-diphenyl-9-(3-phenylphenyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is CC1(C)OB(c2cccc3c4cc(-c5ccccc5)cc(-c5ccccc5)c4n(-c4cccc(-c5ccccc5)c4)c23)OC1(C)C.
What is the InChIKey of 1,3-diphenyl-9-(3-phenylphenyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The InChIKey is AMWRMLLMUVELBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36BNO2/c1-41(2)42(3,4)46-43(45-41)38-25-15-24-35-37-28-33(30-18-10-6-11-19-30)27-36(31-20-12-7-13-21-31)39(37)44(40(35)38)34-23-14-22-32(26-34)29-16-8-5-9-17-29/h5-28H,1-4H3.
What are the key properties of 1,3-diphenyl-9-(3-phenylphenyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
1,3-diphenyl-9-(3-phenylphenyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole has a molecular weight of 597.57 g/mol, XLogP of 10.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-9-(3-phenylphenyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is sourced from PubChem (CID 155599999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).