[4-[3-(9-dibenzoselenophen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane

C60H47BN2Se — CID 169051961

IUPAC[4-[3-(9-dibenzoselenophen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6[se]c7ccccc7c6c5)ccc43)cc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C60H47BN2Se/c1-36-29-38(3)59(39(4)30-36)61(60-40(5)31-37(2)32-41(60)6)44-21-23-45(24-22-44)62-53-16-10-7-13-47(53)50-33-42(19-26-55(50)62)43-20-27-56-51(34-43)48-14-8-11-17-54(48)63(56)46-25-28-58-52(35-46)49-15-9-12-18-57(49)64-58/h7-35H,1-6H3
InChIKeyRNLXKNZNYAUYKH-UHFFFAOYSA-N
MW885.82 g/mol
LogP13.28
Rot. Bonds6

About [4-[3-(9-dibenzoselenophen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane

[4-[3-(9-dibenzoselenophen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane (PubChem CID 169051961) has the molecular formula C60H47BN2Se and a molecular weight of 885.82 g/mol. Its IUPAC name is [4-[3-(9-dibenzoselenophen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane.

Molecular Properties

Compound Name[4-[3-(9-dibenzoselenophen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
PubChem CID169051961
Molecular FormulaC60H47BN2Se
Molecular Weight885.82 g/mol
Exact Mass886.30
IUPAC Name[4-[3-(9-dibenzoselenophen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6[se]c7ccccc7c6c5)ccc43)cc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C60H47BN2Se/c1-36-29-38(3)59(39(4)30-36)61(60-40(5)31-37(2)32-41(60)6)44-21-23-45(24-22-44)62-53-16-10-7-13-47(53)50-33-42(19-26-55(50)62)43-20-27-56-51(34-43)48-14-8-11-17-54(48)63(56)46-25-28-58-52(35-46)49-15-9-12-18-57(49)64-58/h7-35H,1-6H3
InChIKeyRNLXKNZNYAUYKH-UHFFFAOYSA-N
XLogP13.28
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.82
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-[3-(9-dibenzoselenophen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole
CID 71232756
[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane
CID 143123585
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole
CID 71232676
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 155761815
3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
3-carbazol-9-yl-9-[4-[4-(3-methylphenyl)phenyl]phenyl]carbazole
CID 170198467
3-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370671
bis(2,4,6-trimethylphenyl)-(9,18,27-triphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,21,23,25-dodecaen-5-yl)borane
CID 163685740

Frequently Asked Questions

What is the IUPAC name of [4-[3-(9-dibenzoselenophen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
The IUPAC name of [4-[3-(9-dibenzoselenophen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane (CID 169051961) is [4-[3-(9-dibenzoselenophen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane.
What is the SMILES notation for [4-[3-(9-dibenzoselenophen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
The canonical SMILES for [4-[3-(9-dibenzoselenophen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane is Cc1cc(C)c(B(c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6[se]c7ccccc7c6c5)ccc43)cc2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of [4-[3-(9-dibenzoselenophen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
The InChIKey is RNLXKNZNYAUYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47BN2Se/c1-36-29-38(3)59(39(4)30-36)61(60-40(5)31-37(2)32-41(60)6)44-21-23-45(24-22-44)62-53-16-10-7-13-47(53)50-33-42(19-26-55(50)62)43-20-27-56-51(34-43)48-14-8-11-17-54(48)63(56)46-25-28-58-52(35-46)49-15-9-12-18-57(49)64-58/h7-35H,1-6H3.
What are the key properties of [4-[3-(9-dibenzoselenophen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
[4-[3-(9-dibenzoselenophen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane has a molecular weight of 885.82 g/mol, XLogP of 13.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(9-dibenzoselenophen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane is sourced from PubChem (CID 169051961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).