9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol

C48H30N2O — CID 142356795

IUPAC9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol
SMILESOc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C48H30N2O/c51-34-21-25-48-44(29-34)43-27-31(19-24-47(43)49(48)32-10-2-1-3-11-32)30-18-23-46-42(26-30)40-16-8-9-17-45(40)50(46)33-20-22-39-37-14-5-4-12-35(37)36-13-6-7-15-38(36)41(39)28-33/h1-29,51H
InChIKeyXOJCEEIFKZLMDQ-UHFFFAOYSA-N
MW650.78 g/mol
LogP12.71
Rot. Bonds3

About 9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol

9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol (PubChem CID 142356795) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol.

Molecular Properties

Compound Name9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol
PubChem CID142356795
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol
SMILESOc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C48H30N2O/c51-34-21-25-48-44(29-34)43-27-31(19-24-47(43)49(48)32-10-2-1-3-11-32)30-18-23-46-42(26-30)40-16-8-9-17-45(40)50(46)33-20-22-39-37-14-5-4-12-35(37)36-13-6-7-15-38(36)41(39)28-33/h1-29,51H
InChIKeyXOJCEEIFKZLMDQ-UHFFFAOYSA-N
XLogP12.71
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 512.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
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
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158681478
6-methyl-2-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
CID 118330173
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 164968359
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol?
The IUPAC name of 9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol (CID 142356795) is 9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol.
What is the SMILES notation for 9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol?
The canonical SMILES for 9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol is Oc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c5ccccc5c5ccccc5c4c3)ccc1n2-c1ccccc1.
What is the InChIKey of 9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol?
The InChIKey is XOJCEEIFKZLMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c51-34-21-25-48-44(29-34)43-27-31(19-24-47(43)49(48)32-10-2-1-3-11-32)30-18-23-46-42(26-30)40-16-8-9-17-45(40)50(46)33-20-22-39-37-14-5-4-12-35(37)36-13-6-7-15-38(36)41(39)28-33/h1-29,51H.
What are the key properties of 9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol?
9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol has a molecular weight of 650.78 g/mol, XLogP of 12.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol is sourced from PubChem (CID 142356795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).