10-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[1,2-a]indole

C24H24BNO2 — CID 168744662

IUPAC10-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[1,2-a]indole
SMILESCC1(C)OB(c2cccc3c(-c4ccccc4)c4ccccc4n23)OC1(C)C
InChIInChI=1S/C24H24BNO2/c1-23(2)24(3,4)28-25(27-23)21-16-10-15-20-22(17-11-6-5-7-12-17)18-13-8-9-14-19(18)26(20)21/h5-16H,1-4H3
InChIKeyKDBHERBMIDQECL-UHFFFAOYSA-N
MW369.27 g/mol
LogP5.06
Rot. Bonds2

About 10-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[1,2-a]indole

10-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[1,2-a]indole (PubChem CID 168744662) has the molecular formula C24H24BNO2 and a molecular weight of 369.27 g/mol. Its IUPAC name is 10-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[1,2-a]indole.

Molecular Properties

Compound Name10-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[1,2-a]indole
PubChem CID168744662
Molecular FormulaC24H24BNO2
Molecular Weight369.27 g/mol
Exact Mass369.19
IUPAC Name10-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[1,2-a]indole
SMILESCC1(C)OB(c2cccc3c(-c4ccccc4)c4ccccc4n23)OC1(C)C
InChIInChI=1S/C24H24BNO2/c1-23(2)24(3,4)28-25(27-23)21-16-10-15-20-22(17-11-6-5-7-12-17)18-13-8-9-14-19(18)26(20)21/h5-16H,1-4H3
InChIKeyKDBHERBMIDQECL-UHFFFAOYSA-N
XLogP5.06
TPSA22.87 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.27
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

12-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indolo[1,2-c]quinazoline
CID 148594239
9-(3-phenylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 141377786
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 123608284
2,3-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 90078597
9-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 147176198
9-[6-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-4-yl]carbazole
CID 156803722
3,6-bis(4-phenylphenyl)-9-[4-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole
CID 156710666
2,4-diphenyl-6-[4-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 140793140
4,4,5,5-tetramethyl-2-[10-(2-phenylphenyl)anthracen-9-yl]-1,3,2-dioxaborolane
CID 154726226
4,4,5,5-tetramethyl-2-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,2-dioxaborolane
CID 162429693
5,10-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;ethane
CID 176917203
4,4,5,5-tetramethyl-2-[10-(4-methylphenyl)anthracen-9-yl]-1,3,2-dioxaborolane
CID 58836110

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[1,2-a]indole?
The IUPAC name of 10-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[1,2-a]indole (CID 168744662) is 10-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[1,2-a]indole.
What is the SMILES notation for 10-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[1,2-a]indole?
The canonical SMILES for 10-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[1,2-a]indole is CC1(C)OB(c2cccc3c(-c4ccccc4)c4ccccc4n23)OC1(C)C.
What is the InChIKey of 10-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[1,2-a]indole?
The InChIKey is KDBHERBMIDQECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BNO2/c1-23(2)24(3,4)28-25(27-23)21-16-10-15-20-22(17-11-6-5-7-12-17)18-13-8-9-14-19(18)26(20)21/h5-16H,1-4H3.
What are the key properties of 10-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[1,2-a]indole?
10-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[1,2-a]indole has a molecular weight of 369.27 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[1,2-a]indole is sourced from PubChem (CID 168744662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).