1,3,9-triphenyl-7-(2,2,3,3-tetramethylboriran-1-yl)carbazole

C36H32BN — CID 145109855

IUPAC1,3,9-triphenyl-7-(2,2,3,3-tetramethylboriran-1-yl)carbazole
SMILESCC1(C)B(c2ccc3c4cc(-c5ccccc5)cc(-c5ccccc5)c4n(-c4ccccc4)c3c2)C1(C)C
InChIInChI=1S/C36H32BN/c1-35(2)36(3,4)37(35)28-20-21-30-32-23-27(25-14-8-5-9-15-25)22-31(26-16-10-6-11-17-26)34(32)38(33(30)24-28)29-18-12-7-13-19-29/h5-24H,1-4H3
InChIKeyMYGXYTIVTCFNSJ-UHFFFAOYSA-N
MW489.47 g/mol
LogP9.39
Rot. Bonds4

About 1,3,9-triphenyl-7-(2,2,3,3-tetramethylboriran-1-yl)carbazole

1,3,9-triphenyl-7-(2,2,3,3-tetramethylboriran-1-yl)carbazole (PubChem CID 145109855) has the molecular formula C36H32BN and a molecular weight of 489.47 g/mol. Its IUPAC name is 1,3,9-triphenyl-7-(2,2,3,3-tetramethylboriran-1-yl)carbazole.

Molecular Properties

Compound Name1,3,9-triphenyl-7-(2,2,3,3-tetramethylboriran-1-yl)carbazole
PubChem CID145109855
Molecular FormulaC36H32BN
Molecular Weight489.47 g/mol
Exact Mass489.26
IUPAC Name1,3,9-triphenyl-7-(2,2,3,3-tetramethylboriran-1-yl)carbazole
SMILESCC1(C)B(c2ccc3c4cc(-c5ccccc5)cc(-c5ccccc5)c4n(-c4ccccc4)c3c2)C1(C)C
InChIInChI=1S/C36H32BN/c1-35(2)36(3,4)37(35)28-20-21-30-32-23-27(25-14-8-5-9-15-25)22-31(26-16-10-6-11-17-26)34(32)38(33(30)24-28)29-18-12-7-13-19-29/h5-24H,1-4H3
InChIKeyMYGXYTIVTCFNSJ-UHFFFAOYSA-N
XLogP9.39
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.47
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 160788442
9-(3,5-diphenylphenyl)-1,3-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 155600000
1,3-diphenyl-9-(3-phenylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 155600006
6-naphthalen-1-yl-1,3,9-triphenylcarbazole
CID 118448580
9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
CID 126503570
9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
CID 126503545
3-carbazol-9-yl-9-phenyl-1-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 138705475
10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one
CID 118448566
N-dibenzothiophen-3-yl-6,8,9-triphenyl-N-triphenylen-2-ylcarbazol-2-amine
CID 177286494
1,8-bis[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-3,6,9-triphenylcarbazole
CID 139311565
1,3-diphenyl-9-(3-phenylphenyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 155599999

Frequently Asked Questions

What is the IUPAC name of 1,3,9-triphenyl-7-(2,2,3,3-tetramethylboriran-1-yl)carbazole?
The IUPAC name of 1,3,9-triphenyl-7-(2,2,3,3-tetramethylboriran-1-yl)carbazole (CID 145109855) is 1,3,9-triphenyl-7-(2,2,3,3-tetramethylboriran-1-yl)carbazole.
What is the SMILES notation for 1,3,9-triphenyl-7-(2,2,3,3-tetramethylboriran-1-yl)carbazole?
The canonical SMILES for 1,3,9-triphenyl-7-(2,2,3,3-tetramethylboriran-1-yl)carbazole is CC1(C)B(c2ccc3c4cc(-c5ccccc5)cc(-c5ccccc5)c4n(-c4ccccc4)c3c2)C1(C)C.
What is the InChIKey of 1,3,9-triphenyl-7-(2,2,3,3-tetramethylboriran-1-yl)carbazole?
The InChIKey is MYGXYTIVTCFNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32BN/c1-35(2)36(3,4)37(35)28-20-21-30-32-23-27(25-14-8-5-9-15-25)22-31(26-16-10-6-11-17-26)34(32)38(33(30)24-28)29-18-12-7-13-19-29/h5-24H,1-4H3.
What are the key properties of 1,3,9-triphenyl-7-(2,2,3,3-tetramethylboriran-1-yl)carbazole?
1,3,9-triphenyl-7-(2,2,3,3-tetramethylboriran-1-yl)carbazole has a molecular weight of 489.47 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,9-triphenyl-7-(2,2,3,3-tetramethylboriran-1-yl)carbazole is sourced from PubChem (CID 145109855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).