9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole

C43H35BN2O2 — CID 142353638

IUPAC9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole
SMILESCC1(C)OB(c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)cn2)OC1(C)C
InChIInChI=1S/C43H35BN2O2/c1-42(2)43(3,4)48-44(47-42)39-25-23-29(27-45-39)41-34-19-10-8-17-32(34)40(33-18-9-11-20-35(33)41)28-22-24-38-36(26-28)31-16-12-13-21-37(31)46(38)30-14-6-5-7-15-30/h5-27H,1-4H3
InChIKeyBQXXWBDYYVWBDK-UHFFFAOYSA-N
MW622.58 g/mol
LogP10.12
Rot. Bonds4

About 9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole

9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole (PubChem CID 142353638) has the molecular formula C43H35BN2O2 and a molecular weight of 622.58 g/mol. Its IUPAC name is 9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole
PubChem CID142353638
Molecular FormulaC43H35BN2O2
Molecular Weight622.58 g/mol
Exact Mass622.28
IUPAC Name9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole
SMILESCC1(C)OB(c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)cn2)OC1(C)C
InChIInChI=1S/C43H35BN2O2/c1-42(2)43(3,4)48-44(47-42)39-25-23-29(27-45-39)41-34-19-10-8-17-32(34)40(33-18-9-11-20-35(33)41)28-22-24-38-36(26-28)31-16-12-13-21-37(31)46(38)30-14-6-5-7-15-30/h5-27H,1-4H3
InChIKeyBQXXWBDYYVWBDK-UHFFFAOYSA-N
XLogP10.12
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.58
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-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

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole?
The IUPAC name of 9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole (CID 142353638) is 9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole is CC1(C)OB(c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)cn2)OC1(C)C.
What is the InChIKey of 9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole?
The InChIKey is BQXXWBDYYVWBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35BN2O2/c1-42(2)43(3,4)48-44(47-42)39-25-23-29(27-45-39)41-34-19-10-8-17-32(34)40(33-18-9-11-20-35(33)41)28-22-24-38-36(26-28)31-16-12-13-21-37(31)46(38)30-14-6-5-7-15-30/h5-27H,1-4H3.
What are the key properties of 9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole?
9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole has a molecular weight of 622.58 g/mol, XLogP of 10.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole is sourced from PubChem (CID 142353638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).