10-naphthalen-2-yl-3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole

C36H31BN2O2 — CID 90062706

IUPAC10-naphthalen-2-yl-3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole
SMILESCC1(C)OB(c2ccc3c(c2)c2ccc4c(ccn4-c4ccccc4)c2n3-c2ccc3ccccc3c2)OC1(C)C
InChIInChI=1S/C36H31BN2O2/c1-35(2)36(3,4)41-37(40-35)26-15-18-33-31(23-26)29-17-19-32-30(20-21-38(32)27-12-6-5-7-13-27)34(29)39(33)28-16-14-24-10-8-9-11-25(24)22-28/h5-23H,1-4H3
InChIKeyDMIIEULFMPACQN-UHFFFAOYSA-N
MW534.47 g/mol
LogP8.18
Rot. Bonds3

About 10-naphthalen-2-yl-3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole

10-naphthalen-2-yl-3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole (PubChem CID 90062706) has the molecular formula C36H31BN2O2 and a molecular weight of 534.47 g/mol. Its IUPAC name is 10-naphthalen-2-yl-3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name10-naphthalen-2-yl-3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole
PubChem CID90062706
Molecular FormulaC36H31BN2O2
Molecular Weight534.47 g/mol
Exact Mass534.25
IUPAC Name10-naphthalen-2-yl-3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole
SMILESCC1(C)OB(c2ccc3c(c2)c2ccc4c(ccn4-c4ccccc4)c2n3-c2ccc3ccccc3c2)OC1(C)C
InChIInChI=1S/C36H31BN2O2/c1-35(2)36(3,4)41-37(40-35)26-15-18-33-31(23-26)29-17-19-32-30(20-21-38(32)27-12-6-5-7-13-27)34(29)39(33)28-16-14-24-10-8-9-11-25(24)22-28/h5-23H,1-4H3
InChIKeyDMIIEULFMPACQN-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'}

Analyze 10-naphthalen-2-yl-3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]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 10-naphthalen-2-yl-3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole?
The IUPAC name of 10-naphthalen-2-yl-3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole (CID 90062706) is 10-naphthalen-2-yl-3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 10-naphthalen-2-yl-3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole?
The canonical SMILES for 10-naphthalen-2-yl-3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole is CC1(C)OB(c2ccc3c(c2)c2ccc4c(ccn4-c4ccccc4)c2n3-c2ccc3ccccc3c2)OC1(C)C.
What is the InChIKey of 10-naphthalen-2-yl-3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole?
The InChIKey is DMIIEULFMPACQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31BN2O2/c1-35(2)36(3,4)41-37(40-35)26-15-18-33-31(23-26)29-17-19-32-30(20-21-38(32)27-12-6-5-7-13-27)34(29)39(33)28-16-14-24-10-8-9-11-25(24)22-28/h5-23H,1-4H3.
What are the key properties of 10-naphthalen-2-yl-3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole?
10-naphthalen-2-yl-3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]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 10-naphthalen-2-yl-3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90062706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).