N,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline

C36H33BN2O2 — CID 144830993

IUPACN,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline
SMILESCC1(C)OB(c2ccc3c4ccccc4n(-c4cccc(N(c5ccccc5)c5ccccc5)c4)c3c2)OC1(C)C
InChIInChI=1S/C36H33BN2O2/c1-35(2)36(3,4)41-37(40-35)26-22-23-32-31-20-11-12-21-33(31)39(34(32)24-26)30-19-13-18-29(25-30)38(27-14-7-5-8-15-27)28-16-9-6-10-17-28/h5-25H,1-4H3
InChIKeyDACWLRJKZPRTBI-UHFFFAOYSA-N
MW536.48 g/mol
LogP8.55
Rot. Bonds5

About N,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline

N,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline (PubChem CID 144830993) has the molecular formula C36H33BN2O2 and a molecular weight of 536.48 g/mol. Its IUPAC name is N,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline
PubChem CID144830993
Molecular FormulaC36H33BN2O2
Molecular Weight536.48 g/mol
Exact Mass536.26
IUPAC NameN,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline
SMILESCC1(C)OB(c2ccc3c4ccccc4n(-c4cccc(N(c5ccccc5)c5ccccc5)c4)c3c2)OC1(C)C
InChIInChI=1S/C36H33BN2O2/c1-35(2)36(3,4)41-37(40-35)26-22-23-32-31-20-11-12-21-33(31)39(34(32)24-26)30-19-13-18-29(25-30)38(27-14-7-5-8-15-27)28-16-9-6-10-17-28/h5-25H,1-4H3
InChIKeyDACWLRJKZPRTBI-UHFFFAOYSA-N
XLogP8.55
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.48
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N-phenyl-3-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 142710964
3-[2-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]-N,N-diphenylaniline
CID 170132805
N,N-diphenyl-3-(9-phenylcarbazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 142710965
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
3-N,6-N-bis(4-fluorophenyl)-9-phenyl-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine
CID 164737736
3-N-(3-carbazol-9-ylphenyl)-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 90061335
9-phenyl-N-(4-phenylphenyl)-N-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-amine
CID 170690267
9-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-3-yl]carbazole
CID 170671268
N-(3-carbazol-9-ylphenyl)-N-phenyl-3-tritioaniline
CID 59196853
triphenyl-[9-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]silane
CID 165169101
9-(9,9-dimethylfluoren-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;molecular hydrogen
CID 144896856

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline?
The IUPAC name of N,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline (CID 144830993) is N,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline.
What is the SMILES notation for N,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline?
The canonical SMILES for N,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline is CC1(C)OB(c2ccc3c4ccccc4n(-c4cccc(N(c5ccccc5)c5ccccc5)c4)c3c2)OC1(C)C.
What is the InChIKey of N,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline?
The InChIKey is DACWLRJKZPRTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33BN2O2/c1-35(2)36(3,4)41-37(40-35)26-22-23-32-31-20-11-12-21-33(31)39(34(32)24-26)30-19-13-18-29(25-30)38(27-14-7-5-8-15-27)28-16-9-6-10-17-28/h5-25H,1-4H3.
What are the key properties of N,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline?
N,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline has a molecular weight of 536.48 g/mol, XLogP of 8.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline is sourced from PubChem (CID 144830993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).