[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane

C46H46BN — CID 143123585

IUPAC[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2c(C)cc(C)cc2C)c2c(C)c(C)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(C)c2C)c(C)c1
InChIInChI=1S/C46H46BN/c1-27-23-29(3)44(30(4)24-27)47(45-31(5)25-28(2)26-32(45)6)46-35(9)33(7)43(34(8)36(46)10)37-19-21-38(22-20-37)48-41-17-13-11-15-39(41)40-16-12-14-18-42(40)48/h11-26H,1-10H3
InChIKeyNXRMIACBEHXFOV-UHFFFAOYSA-N
MW623.69 g/mol
LogP10.05
Rot. Bonds5

About [4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane

[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane (PubChem CID 143123585) has the molecular formula C46H46BN and a molecular weight of 623.69 g/mol. Its IUPAC name is [4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane.

Molecular Properties

Compound Name[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane
PubChem CID143123585
Molecular FormulaC46H46BN
Molecular Weight623.69 g/mol
Exact Mass623.37
IUPAC Name[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane
SMILESCc1cc(C)c(B(c2c(C)cc(C)cc2C)c2c(C)c(C)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(C)c2C)c(C)c1
InChIInChI=1S/C46H46BN/c1-27-23-29(3)44(30(4)24-27)47(45-31(5)25-28(2)26-32(45)6)46-35(9)33(7)43(34(8)36(46)10)37-19-21-38(22-20-37)48-41-17-13-11-15-39(41)40-16-12-14-18-42(40)48/h11-26H,1-10H3
InChIKeyNXRMIACBEHXFOV-UHFFFAOYSA-N
XLogP10.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.69
LogP ≤ 510.05
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-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991790
[4-[3-(9-dibenzoselenophen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 169051961
9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 162257704
9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole
CID 71232756
9-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole
CID 58876173
[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 155761815
12,26-bis(4-methylphenyl)-2,16-diphenyl-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6,8,10,13,16,18,20,22,24,27-tridecaene
CID 123155033
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59742225
9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58971557
9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole
CID 59845018

Frequently Asked Questions

What is the IUPAC name of [4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane?
The IUPAC name of [4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane (CID 143123585) is [4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane.
What is the SMILES notation for [4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane?
The canonical SMILES for [4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane is Cc1cc(C)c(B(c2c(C)cc(C)cc2C)c2c(C)c(C)c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c(C)c2C)c(C)c1.
What is the InChIKey of [4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane?
The InChIKey is NXRMIACBEHXFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46BN/c1-27-23-29(3)44(30(4)24-27)47(45-31(5)25-28(2)26-32(45)6)46-35(9)33(7)43(34(8)36(46)10)37-19-21-38(22-20-37)48-41-17-13-11-15-39(41)40-16-12-14-18-42(40)48/h11-26H,1-10H3.
What are the key properties of [4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane?
[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane has a molecular weight of 623.69 g/mol, XLogP of 10.05, 5 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)-2,3,5,6-tetramethylphenyl]-bis(2,4,6-trimethylphenyl)borane is sourced from PubChem (CID 143123585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).