7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole

C28H26BNO2 — CID 140743556

IUPAC7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole
SMILESCC1(C)OB(c2ccc3c4c5ccccc5ccc4n(-c4ccccc4)c3c2)OC1(C)C
InChIInChI=1S/C28H26BNO2/c1-27(2)28(3,4)32-29(31-27)20-15-16-23-25(18-20)30(21-11-6-5-7-12-21)24-17-14-19-10-8-9-13-22(19)26(23)24/h5-18H,1-4H3
InChIKeyUJDHJHJHIHXERN-UHFFFAOYSA-N
MW419.33 g/mol
LogP6.24
Rot. Bonds2

About 7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole

7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole (PubChem CID 140743556) has the molecular formula C28H26BNO2 and a molecular weight of 419.33 g/mol. Its IUPAC name is 7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole
PubChem CID140743556
Molecular FormulaC28H26BNO2
Molecular Weight419.33 g/mol
Exact Mass419.21
IUPAC Name7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole
SMILESCC1(C)OB(c2ccc3c4c5ccccc5ccc4n(-c4ccccc4)c3c2)OC1(C)C
InChIInChI=1S/C28H26BNO2/c1-27(2)28(3,4)32-29(31-27)20-15-16-23-25(18-20)30(21-11-6-5-7-12-21)24-17-14-19-10-8-9-13-22(19)26(23)24/h5-18H,1-4H3
InChIKeyUJDHJHJHIHXERN-UHFFFAOYSA-N
XLogP6.24
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.33
LogP ≤ 56.24
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

17,17-dimethyl-13-phenyl-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-13-azanonacyclo[18.16.0.03,18.04,16.06,14.07,12.021,30.022,27.031,36]hexatriaconta-1,3(18),4(16),5,7(12),8,10,14,19,21(30),22,24,26,28,31,33,35-heptadecaene
CID 153123754
10-phenyl-18-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene
CID 140808006
15-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
CID 123495729
5,6-diphenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[2,3-b]indole
CID 146987468
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
5-phenyl-14-(3-phenylphenyl)-17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene
CID 176647105
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)acridin-9-one
CID 89182990
13-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 71230399
5-phenyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[3,2-b]indole
CID 67094792
N,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline
CID 144830993
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

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole?
The IUPAC name of 7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole (CID 140743556) is 7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole.
What is the SMILES notation for 7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole?
The canonical SMILES for 7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole is CC1(C)OB(c2ccc3c4c5ccccc5ccc4n(-c4ccccc4)c3c2)OC1(C)C.
What is the InChIKey of 7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole?
The InChIKey is UJDHJHJHIHXERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26BNO2/c1-27(2)28(3,4)32-29(31-27)20-15-16-23-25(18-20)30(21-11-6-5-7-12-21)24-17-14-19-10-8-9-13-22(19)26(23)24/h5-18H,1-4H3.
What are the key properties of 7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole?
7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole has a molecular weight of 419.33 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole is sourced from PubChem (CID 140743556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).