3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole

C54H35N3 — CID 170374891

IUPAC3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cccc32)cc1
InChIInChI=1S/C54H35N3/c1-3-17-36(18-4-1)39-25-15-26-40(37-19-5-2-6-20-37)54(39)57-49-30-14-10-24-44(49)53-51(31-16-32-52(53)57)56-48-29-13-9-23-43(48)45-35-38(33-34-50(45)56)55-46-27-11-7-21-41(46)42-22-8-12-28-47(42)55/h1-35H
InChIKeyXVZBKTYQAILGJU-UHFFFAOYSA-N
MW725.90 g/mol
LogP14.31
Rot. Bonds5

About 3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole

3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole (PubChem CID 170374891) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole
PubChem CID170374891
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cccc32)cc1
InChIInChI=1S/C54H35N3/c1-3-17-36(18-4-1)39-25-15-26-40(37-19-5-2-6-20-37)54(39)57-49-30-14-10-24-44(49)53-51(31-16-32-52(53)57)56-48-29-13-9-23-43(48)45-35-38(33-34-50(45)56)55-46-27-11-7-21-41(46)42-22-8-12-28-47(42)55/h1-35H
InChIKeyXVZBKTYQAILGJU-UHFFFAOYSA-N
XLogP14.31
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole
CID 170374855
3-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;4-[2-(3-carbazol-9-ylcarbazol-9-yl)-3-(9-phenylcarbazol-4-yl)phenyl]-9-phenylcarbazole;3-carbazol-9-yl-9-[2-phenyl-6-(9-phenylcarbazol-3-yl)phenyl]carbazole;3-carbazol-9-yl-9-[2-phenyl-6-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 165068222
3-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659651
2-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]carbazole;3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]carbazole;4-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]carbazole
CID 159534359
3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole
CID 134240254
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(2,6-diphenylphenyl)carbazole
CID 170374759
3-carbazol-9-yl-9-(9-phenyldibenzoselenophen-1-yl)carbazole
CID 170518038
2-(3-carbazol-9-ylcarbazol-9-yl)-6-phenylaniline
CID 176607684
3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167219651
3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
CID 134240253
3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole
CID 138606121
3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole
CID 170386269

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole (CID 170374891) is 3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole is c1ccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3c(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cccc32)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole?
The InChIKey is XVZBKTYQAILGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-3-17-36(18-4-1)39-25-15-26-40(37-19-5-2-6-20-37)54(39)57-49-30-14-10-24-44(49)53-51(31-16-32-52(53)57)56-48-29-13-9-23-43(48)45-35-38(33-34-50(45)56)55-46-27-11-7-21-41(46)42-22-8-12-28-47(42)55/h1-35H.
What are the key properties of 3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole?
3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole has a molecular weight of 725.90 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole is sourced from PubChem (CID 170374891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).