[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane

C40H36BN — CID 155642855

IUPAC[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane
SMILESc1ccc(B(c2ccccc2)C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C40H36BN/c1-3-11-33(12-4-1)41(34-13-5-2-6-14-34)40(31-24-28-23-29(26-31)27-32(40)25-28)30-19-21-35(22-20-30)42-38-17-9-7-15-36(38)37-16-8-10-18-39(37)42/h1-22,28-29,31-32H,23-27H2
InChIKeySUJJZAHMDWWSSC-UHFFFAOYSA-N
MW541.55 g/mol
LogP8.33
Rot. Bonds5

About [2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane

[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane (PubChem CID 155642855) has the molecular formula C40H36BN and a molecular weight of 541.55 g/mol. Its IUPAC name is [2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane.

Molecular Properties

Compound Name[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane
PubChem CID155642855
Molecular FormulaC40H36BN
Molecular Weight541.55 g/mol
Exact Mass541.29
IUPAC Name[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane
SMILESc1ccc(B(c2ccccc2)C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C40H36BN/c1-3-11-33(12-4-1)41(34-13-5-2-6-14-34)40(31-24-28-23-29(26-31)27-32(40)25-28)30-19-21-35(22-20-30)42-38-17-9-7-15-36(38)37-16-8-10-18-39(37)42/h1-22,28-29,31-32H,23-27H2
InChIKeySUJJZAHMDWWSSC-UHFFFAOYSA-N
XLogP8.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.55
LogP ≤ 58.33
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-iodophenyl)-2-adamantyl]phenyl]carbazole
CID 155332348
9-[4-[2-(4-carbazol-9-ylphenyl)-2-tricyclo[4.4.1.13,8]dodecanyl]phenyl]carbazole
CID 118965630
3-(2-bromo-2-adamantyl)-9-phenylcarbazole
CID 155642852
9-[4-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-adamantyl]phenyl]carbazole
CID 155332262
diphenyl-[2-(9-phenylcarbazol-3-yl)-2-adamantyl]-sulfanylidene-λ5-phosphane
CID 155332371
9-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole;9-[4-[4-[3-[4-(4-carbazol-9-ylphenyl)phenyl]-1-adamantyl]phenyl]phenyl]carbazole
CID 157166578
9-[4-(1-azoniatricyclo[3.3.1.13,7]decan-1-yl)phenyl]carbazole
CID 170153519
9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
CID 141391404
9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
CID 102429669
9-[2-[2-(5-carbazol-9-ylpyrimidin-2-yl)-2-adamantyl]pyrimidin-5-yl]carbazole
CID 155332350
9-[4-[2,2,6-tris(4-carbazol-9-ylphenyl)-6-bicyclo[3.2.1]octanyl]phenyl]carbazole
CID 58939565
9-(4-phenylphenyl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 156577007

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane?
The IUPAC name of [2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane (CID 155642855) is [2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane.
What is the SMILES notation for [2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane?
The canonical SMILES for [2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane is c1ccc(B(c2ccccc2)C2(c3ccc(-n4c5ccccc5c5ccccc54)cc3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of [2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane?
The InChIKey is SUJJZAHMDWWSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36BN/c1-3-11-33(12-4-1)41(34-13-5-2-6-14-34)40(31-24-28-23-29(26-31)27-32(40)25-28)30-19-21-35(22-20-30)42-38-17-9-7-15-36(38)37-16-8-10-18-39(37)42/h1-22,28-29,31-32H,23-27H2.
What are the key properties of [2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane?
[2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane has a molecular weight of 541.55 g/mol, XLogP of 8.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbazol-9-ylphenyl)-2-adamantyl]-diphenylborane is sourced from PubChem (CID 155642855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).