[4-[7-[4-[2-(2-benzylphenyl)-3-methylcarbazol-9-yl]phenyl]-5-tetracyclo[5.2.1.03,5.03,9]decanyl]phenyl]-bis(2,4,6-trimethylphenyl)borane

C66H62BN — CID 144731184

IUPAC[4-[7-[4-[2-(2-benzylphenyl)-3-methylcarbazol-9-yl]phenyl]-5-tetracyclo[5.2.1.03,5.03,9]decanyl]phenyl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2ccc(C34CC5(c6ccc(-n7c8ccccc8c8cc(C)c(-c9ccccc9Cc9ccccc9)cc87)cc6)CC6CC3(C4)C6C5)cc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C66H62BN/c1-41-29-44(4)62(45(5)30-41)67(63-46(6)31-42(2)32-47(63)7)53-25-21-52(22-26-53)66-39-64(36-50-37-65(66,40-66)59(50)38-64)51-23-27-54(28-24-51)68-60-20-14-13-19-56(60)58-33-43(3)57(35-61(58)68)55-18-12-11-17-49(55)34-48-15-9-8-10-16-48/h8-33,35,50,59H,34,36-40H2,1-7H3
InChIKeyRYTRHRRDDTUYAC-UHFFFAOYSA-N
MW880.04 g/mol
LogP14.12
Rot. Bonds9

About [4-[7-[4-[2-(2-benzylphenyl)-3-methylcarbazol-9-yl]phenyl]-5-tetracyclo[5.2.1.03,5.03,9]decanyl]phenyl]-bis(2,4,6-trimethylphenyl)borane

[4-[7-[4-[2-(2-benzylphenyl)-3-methylcarbazol-9-yl]phenyl]-5-tetracyclo[5.2.1.03,5.03,9]decanyl]phenyl]-bis(2,4,6-trimethylphenyl)borane (PubChem CID 144731184) has the molecular formula C66H62BN and a molecular weight of 880.04 g/mol. Its IUPAC name is [4-[7-[4-[2-(2-benzylphenyl)-3-methylcarbazol-9-yl]phenyl]-5-tetracyclo[5.2.1.03,5.03,9]decanyl]phenyl]-bis(2,4,6-trimethylphenyl)borane.

Molecular Properties

Compound Name[4-[7-[4-[2-(2-benzylphenyl)-3-methylcarbazol-9-yl]phenyl]-5-tetracyclo[5.2.1.03,5.03,9]decanyl]phenyl]-bis(2,4,6-trimethylphenyl)borane
PubChem CID144731184
Molecular FormulaC66H62BN
Molecular Weight880.04 g/mol
Exact Mass879.50
IUPAC Name[4-[7-[4-[2-(2-benzylphenyl)-3-methylcarbazol-9-yl]phenyl]-5-tetracyclo[5.2.1.03,5.03,9]decanyl]phenyl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2ccc(C34CC5(c6ccc(-n7c8ccccc8c8cc(C)c(-c9ccccc9Cc9ccccc9)cc87)cc6)CC6CC3(C4)C6C5)cc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C66H62BN/c1-41-29-44(4)62(45(5)30-41)67(63-46(6)31-42(2)32-47(63)7)53-25-21-52(22-26-53)66-39-64(36-50-37-65(66,40-66)59(50)38-64)51-23-27-54(28-24-51)68-60-20-14-13-19-56(60)58-33-43(3)57(35-61(58)68)55-18-12-11-17-49(55)34-48-15-9-8-10-16-48/h8-33,35,50,59H,34,36-40H2,1-7H3
InChIKeyRYTRHRRDDTUYAC-UHFFFAOYSA-N
XLogP14.12
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.04
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-[7-[4-[2-(2-benzylphenyl)-3-methylcarbazol-9-yl]phenyl]-5-tetracyclo[5.2.1.03,5.03,9]decanyl]phenyl]-bis(2,4,6-trimethylphenyl)borane with MolForge

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Related Compounds

9-[4-[3,5-bis(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
CID 141391404
[6-[4-[3-(4-diphenylphosphorylphenyl)-1-adamantyl]phenyl]-9-phenylcarbazol-3-yl]-bis(2,4,6-trimethylphenyl)borane
CID 140705244
[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 155761815
N-[4-[3-[4-[8-bis(2,4,6-trimethylphenyl)boranyldibenzofuran-2-yl]phenyl]-1-adamantyl]phenyl]-N-phenylnaphthalen-1-amine;[8-[4-[3-(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane;[8-[4-(3-phenyl-1-adamantyl)phenyl]dibenzofuran-2-yl]-bis(2,4,6-trimethylphenyl)borane
CID 157299163
2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane
CID 145449640
[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane
CID 143123585
[4-[3-(9-dibenzoselenophen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 169051961
9-[4-[3,5,7-tris(4-carbazol-9-ylphenyl)-1-adamantyl]phenyl]carbazole
CID 102429669
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
2-[3-[2-[[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]-4-methylphenyl]-9-phenylcarbazole
CID 163921664
N-[4-[2-[2-(2-benzylphenyl)-3-methylphenyl]carbazol-9-yl]phenyl]-N,4-diphenylaniline
CID 144830813
9-[4-[(3-methylphenyl)methyl]phenyl]carbazole
CID 143035757

Frequently Asked Questions

What is the IUPAC name of [4-[7-[4-[2-(2-benzylphenyl)-3-methylcarbazol-9-yl]phenyl]-5-tetracyclo[5.2.1.03,5.03,9]decanyl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
The IUPAC name of [4-[7-[4-[2-(2-benzylphenyl)-3-methylcarbazol-9-yl]phenyl]-5-tetracyclo[5.2.1.03,5.03,9]decanyl]phenyl]-bis(2,4,6-trimethylphenyl)borane (CID 144731184) is [4-[7-[4-[2-(2-benzylphenyl)-3-methylcarbazol-9-yl]phenyl]-5-tetracyclo[5.2.1.03,5.03,9]decanyl]phenyl]-bis(2,4,6-trimethylphenyl)borane.
What is the SMILES notation for [4-[7-[4-[2-(2-benzylphenyl)-3-methylcarbazol-9-yl]phenyl]-5-tetracyclo[5.2.1.03,5.03,9]decanyl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
The canonical SMILES for [4-[7-[4-[2-(2-benzylphenyl)-3-methylcarbazol-9-yl]phenyl]-5-tetracyclo[5.2.1.03,5.03,9]decanyl]phenyl]-bis(2,4,6-trimethylphenyl)borane is Cc1cc(C)c(B(c2ccc(C34CC5(c6ccc(-n7c8ccccc8c8cc(C)c(-c9ccccc9Cc9ccccc9)cc87)cc6)CC6CC3(C4)C6C5)cc2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of [4-[7-[4-[2-(2-benzylphenyl)-3-methylcarbazol-9-yl]phenyl]-5-tetracyclo[5.2.1.03,5.03,9]decanyl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
The InChIKey is RYTRHRRDDTUYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H62BN/c1-41-29-44(4)62(45(5)30-41)67(63-46(6)31-42(2)32-47(63)7)53-25-21-52(22-26-53)66-39-64(36-50-37-65(66,40-66)59(50)38-64)51-23-27-54(28-24-51)68-60-20-14-13-19-56(60)58-33-43(3)57(35-61(58)68)55-18-12-11-17-49(55)34-48-15-9-8-10-16-48/h8-33,35,50,59H,34,36-40H2,1-7H3.
What are the key properties of [4-[7-[4-[2-(2-benzylphenyl)-3-methylcarbazol-9-yl]phenyl]-5-tetracyclo[5.2.1.03,5.03,9]decanyl]phenyl]-bis(2,4,6-trimethylphenyl)borane?
[4-[7-[4-[2-(2-benzylphenyl)-3-methylcarbazol-9-yl]phenyl]-5-tetracyclo[5.2.1.03,5.03,9]decanyl]phenyl]-bis(2,4,6-trimethylphenyl)borane has a molecular weight of 880.04 g/mol, XLogP of 14.12, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-[4-[2-(2-benzylphenyl)-3-methylcarbazol-9-yl]phenyl]-5-tetracyclo[5.2.1.03,5.03,9]decanyl]phenyl]-bis(2,4,6-trimethylphenyl)borane is sourced from PubChem (CID 144731184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).