[4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-dimethylborane

C30H24BN — CID 152550272

IUPAC[4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-dimethylborane
SMILESCB(C)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccccc12
InChIInChI=1S/C30H24BN/c1-31(2)28-20-19-23(24-9-3-4-10-25(24)28)21-15-17-22(18-16-21)32-29-13-7-5-11-26(29)27-12-6-8-14-30(27)32/h3-20H,1-2H3
InChIKeyYNIMLRHETWPIDJ-UHFFFAOYSA-N
MW409.34 g/mol
LogP7.57
Rot. Bonds3

About [4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-dimethylborane

[4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-dimethylborane (PubChem CID 152550272) has the molecular formula C30H24BN and a molecular weight of 409.34 g/mol. Its IUPAC name is [4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-dimethylborane.

Molecular Properties

Compound Name[4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-dimethylborane
PubChem CID152550272
Molecular FormulaC30H24BN
Molecular Weight409.34 g/mol
Exact Mass409.20
IUPAC Name[4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-dimethylborane
SMILESCB(C)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccccc12
InChIInChI=1S/C30H24BN/c1-31(2)28-20-19-23(24-9-3-4-10-25(24)28)21-15-17-22(18-16-21)32-29-13-7-5-11-26(29)27-12-6-8-14-30(27)32/h3-20H,1-2H3
InChIKeyYNIMLRHETWPIDJ-UHFFFAOYSA-N
XLogP7.57
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.34
LogP ≤ 57.57
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

9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
11-(4-phenylnaphthalen-1-yl)-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 167029799
3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
CID 152852425
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
2,5-bis(4-carbazol-9-ylphenyl)terephthalaldehyde
CID 164890506
9-[4-[2-(4-carbazol-9-ylphenyl)-4-(2,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 58943802
6-(4-carbazol-9-ylphenyl)-2-methylbenzo[de]isoquinoline-1,3-dione
CID 155773610
9-[4-(2,4-difluorophenyl)phenyl]carbazole
CID 122431328

Frequently Asked Questions

What is the IUPAC name of [4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-dimethylborane?
The IUPAC name of [4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-dimethylborane (CID 152550272) is [4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-dimethylborane.
What is the SMILES notation for [4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-dimethylborane?
The canonical SMILES for [4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-dimethylborane is CB(C)c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccccc12.
What is the InChIKey of [4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-dimethylborane?
The InChIKey is YNIMLRHETWPIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24BN/c1-31(2)28-20-19-23(24-9-3-4-10-25(24)28)21-15-17-22(18-16-21)32-29-13-7-5-11-26(29)27-12-6-8-14-30(27)32/h3-20H,1-2H3.
What are the key properties of [4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-dimethylborane?
[4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-dimethylborane has a molecular weight of 409.34 g/mol, XLogP of 7.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-dimethylborane is sourced from PubChem (CID 152550272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).