9-naphthalen-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole

C28H28BNO2 — CID 144831031

IUPAC9-naphthalen-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole
SMILESCC1(C)OB(c2ccc3c4c(n(-c5cccc6ccccc56)c3c2)=CCCC=4)OC1(C)C
InChIInChI=1S/C28H28BNO2/c1-27(2)28(3,4)32-29(31-27)20-16-17-23-22-13-7-8-14-25(22)30(26(23)18-20)24-15-9-11-19-10-5-6-12-21(19)24/h5-6,9-18H,7-8H2,1-4H3
InChIKeyGHFIHHHKYXJOIP-UHFFFAOYSA-N
MW421.35 g/mol
LogP4.44
Rot. Bonds2

About 9-naphthalen-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole

9-naphthalen-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole (PubChem CID 144831031) has the molecular formula C28H28BNO2 and a molecular weight of 421.35 g/mol. Its IUPAC name is 9-naphthalen-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole.

Molecular Properties

Compound Name9-naphthalen-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole
PubChem CID144831031
Molecular FormulaC28H28BNO2
Molecular Weight421.35 g/mol
Exact Mass421.22
IUPAC Name9-naphthalen-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole
SMILESCC1(C)OB(c2ccc3c4c(n(-c5cccc6ccccc56)c3c2)=CCCC=4)OC1(C)C
InChIInChI=1S/C28H28BNO2/c1-27(2)28(3,4)32-29(31-27)20-16-17-23-22-13-7-8-14-25(22)30(26(23)18-20)24-15-9-11-19-10-5-6-12-21(19)24/h5-6,9-18H,7-8H2,1-4H3
InChIKeyGHFIHHHKYXJOIP-UHFFFAOYSA-N
XLogP4.44
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-naphthalen-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole 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

7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole
CID 140743556
4,4,5,5-tetramethyl-2-(8-naphthalen-1-ylnaphthalen-2-yl)-1,3,2-dioxaborolane
CID 176598706
7-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole
CID 174138958
N-[4-(9-phenyl-6,7-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 156721201
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-thiophen-2-ylcarbazole
CID 162691557
4,4,5,5-tetramethyl-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-2-yl]-1,3,2-dioxaborolane
CID 58174852
N-phenyl-N-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]naphthalen-1-amine
CID 163991812
26,26-dimethyl-17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene
CID 169023423
5-naphthalen-1-yl-17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 160511798
4,4,5,5-tetramethyl-2-(2-naphthalen-1-yl-3-phenyl-1-benzofuran-6-yl)-1,3,2-dioxaborolane
CID 177271918
N,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline
CID 144830993
3-naphthalen-1-yl-20-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-11-oxa-3,19-diazapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
CID 164810652

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole?
The IUPAC name of 9-naphthalen-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole (CID 144831031) is 9-naphthalen-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole.
What is the SMILES notation for 9-naphthalen-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole?
The canonical SMILES for 9-naphthalen-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole is CC1(C)OB(c2ccc3c4c(n(-c5cccc6ccccc56)c3c2)=CCCC=4)OC1(C)C.
What is the InChIKey of 9-naphthalen-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole?
The InChIKey is GHFIHHHKYXJOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28BNO2/c1-27(2)28(3,4)32-29(31-27)20-16-17-23-22-13-7-8-14-25(22)30(26(23)18-20)24-15-9-11-19-10-5-6-12-21(19)24/h5-6,9-18H,7-8H2,1-4H3.
What are the key properties of 9-naphthalen-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole?
9-naphthalen-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole has a molecular weight of 421.35 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrocarbazole is sourced from PubChem (CID 144831031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).