10-naphthalen-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine

C28H26BNO3 — CID 142744128

IUPAC10-naphthalen-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine
SMILESCC1(C)OB(c2ccc3c(c2)Oc2ccccc2N3c2ccc3ccccc3c2)OC1(C)C
InChIInChI=1S/C28H26BNO3/c1-27(2)28(3,4)33-29(32-27)21-14-16-24-26(18-21)31-25-12-8-7-11-23(25)30(24)22-15-13-19-9-5-6-10-20(19)17-22/h5-18H,1-4H3
InChIKeySIMXKMOFSGTULA-UHFFFAOYSA-N
MW435.33 g/mol
LogP6.71
Rot. Bonds2

About 10-naphthalen-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine

10-naphthalen-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine (PubChem CID 142744128) has the molecular formula C28H26BNO3 and a molecular weight of 435.33 g/mol. Its IUPAC name is 10-naphthalen-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine.

Molecular Properties

Compound Name10-naphthalen-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine
PubChem CID142744128
Molecular FormulaC28H26BNO3
Molecular Weight435.33 g/mol
Exact Mass435.20
IUPAC Name10-naphthalen-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine
SMILESCC1(C)OB(c2ccc3c(c2)Oc2ccccc2N3c2ccc3ccccc3c2)OC1(C)C
InChIInChI=1S/C28H26BNO3/c1-27(2)28(3,4)33-29(32-27)21-14-16-24-26(18-21)31-25-12-8-7-11-23(25)30(24)22-15-13-19-9-5-6-10-20(19)17-22/h5-18H,1-4H3
InChIKeySIMXKMOFSGTULA-UHFFFAOYSA-N
XLogP6.71
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.33
LogP ≤ 56.71
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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine 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

10-(4-methoxyphenyl)-3,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine
CID 59302117
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
14,14-dimethyl-17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 67951191
5-naphthalen-2-yl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]carbazole
CID 145318504
10-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[acridine-9,11'-benzo[b]fluorene]
CID 156897210
10-phenyl-3'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[acridine-9,11'-benzo[b]fluorene]
CID 142293560
4,4,5,5-tetramethyl-2-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane
CID 90065843
9,9-dimethyl-10-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acridine
CID 71007069
14,22-dinaphthalen-2-yl-8-oxa-14,22-diaza-1-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140848859
10-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenoselenazine
CID 172808799
4,4,5,5-tetramethyl-2-(3-naphthalen-2-ylphenyl)-1,3,2-dioxaborolane
CID 164886110
4,4,5,5-tetramethyl-2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-1,3,2-dioxaborolane
CID 157187261

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine?
The IUPAC name of 10-naphthalen-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine (CID 142744128) is 10-naphthalen-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine.
What is the SMILES notation for 10-naphthalen-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine?
The canonical SMILES for 10-naphthalen-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine is CC1(C)OB(c2ccc3c(c2)Oc2ccccc2N3c2ccc3ccccc3c2)OC1(C)C.
What is the InChIKey of 10-naphthalen-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine?
The InChIKey is SIMXKMOFSGTULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26BNO3/c1-27(2)28(3,4)33-29(32-27)21-14-16-24-26(18-21)31-25-12-8-7-11-23(25)30(24)22-15-13-19-9-5-6-10-20(19)17-22/h5-18H,1-4H3.
What are the key properties of 10-naphthalen-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine?
10-naphthalen-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine has a molecular weight of 435.33 g/mol, XLogP of 6.71, 2 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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine is sourced from PubChem (CID 142744128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).