9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole

C51H45N3 — CID 102414026

IUPAC9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole
SMILESCCc1c(Cn2c3ccccc3c3ccccc32)c(CC)c(Cn2c3ccccc3c3ccccc32)c(CC)c1Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C51H45N3/c1-4-34-43(31-52-46-25-13-7-19-37(46)38-20-8-14-26-47(38)52)35(5-2)45(33-54-50-29-17-11-23-41(50)42-24-12-18-30-51(42)54)36(6-3)44(34)32-53-48-27-15-9-21-39(48)40-22-10-16-28-49(40)53/h7-30H,4-6,31-33H2,1-3H3
InChIKeyXDWTTYGCTPQXEK-UHFFFAOYSA-N
MW699.94 g/mol
LogP12.84
Rot. Bonds9

About 9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole

9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole (PubChem CID 102414026) has the molecular formula C51H45N3 and a molecular weight of 699.94 g/mol. Its IUPAC name is 9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole.

Molecular Properties

Compound Name9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole
PubChem CID102414026
Molecular FormulaC51H45N3
Molecular Weight699.94 g/mol
Exact Mass699.36
IUPAC Name9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole
SMILESCCc1c(Cn2c3ccccc3c3ccccc32)c(CC)c(Cn2c3ccccc3c3ccccc32)c(CC)c1Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C51H45N3/c1-4-34-43(31-52-46-25-13-7-19-37(46)38-20-8-14-26-47(38)52)35(5-2)45(33-54-50-29-17-11-23-41(50)42-24-12-18-30-51(42)54)36(6-3)44(34)32-53-48-27-15-9-21-39(48)40-22-10-16-28-49(40)53/h7-30H,4-6,31-33H2,1-3H3
InChIKeyXDWTTYGCTPQXEK-UHFFFAOYSA-N
XLogP12.84
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.94
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407
9-[(4-tert-butylphenyl)methyl]carbazole
CID 154964214
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
carbazol-9-ylmethylphosphane
CID 90324544
N-phenyl-9-[(2,4,6-trifluorophenyl)methyl]-N-[9-[(2,4,6-trifluorophenyl)methyl]carbazol-3-yl]carbazol-3-amine
CID 59760477
9-hexadecylcarbazole
CID 4166588
ethane;9-ethylcarbazole;9-methylcarbazole;propane
CID 158486364
9-docosylcarbazole
CID 10528568
carbazol-9-yl(triethyl)silane
CID 102235199
9-[(2,5-dimethylphenyl)methyl]carbazole
CID 174908792
carbazol-9-ylmethyl propanoate
CID 122502701
methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792

Frequently Asked Questions

What is the IUPAC name of 9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole?
The IUPAC name of 9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole (CID 102414026) is 9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole.
What is the SMILES notation for 9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole?
The canonical SMILES for 9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole is CCc1c(Cn2c3ccccc3c3ccccc32)c(CC)c(Cn2c3ccccc3c3ccccc32)c(CC)c1Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole?
The InChIKey is XDWTTYGCTPQXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H45N3/c1-4-34-43(31-52-46-25-13-7-19-37(46)38-20-8-14-26-47(38)52)35(5-2)45(33-54-50-29-17-11-23-41(50)42-24-12-18-30-51(42)54)36(6-3)44(34)32-53-48-27-15-9-21-39(48)40-22-10-16-28-49(40)53/h7-30H,4-6,31-33H2,1-3H3.
What are the key properties of 9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole?
9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole has a molecular weight of 699.94 g/mol, XLogP of 12.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3,5-bis(carbazol-9-ylmethyl)-2,4,6-triethylphenyl]methyl]carbazole is sourced from PubChem (CID 102414026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).