9-anthracen-9-yl-3-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-2-yl)carbazole

C62H39N3 — CID 118405055

IUPAC9-anthracen-9-yl-3-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-2-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc4n5-c4c5ccccc5cc5ccccc45)cc32)cc1
InChIInChI=1S/C62H39N3/c1-2-16-46(17-3-1)64-58-25-13-10-22-52(58)53-33-28-43(39-61(53)64)42-30-35-60-55(38-42)54-37-41(29-34-59(54)65(60)62-48-18-6-4-14-44(48)36-45-15-5-7-19-49(45)62)40-26-31-47(32-27-40)63-56-23-11-8-20-50(56)51-21-9-12-24-57(51)63/h1-39H
InChIKeyOCVJTCMZDOLTAS-UHFFFAOYSA-N
MW826.02 g/mol
LogP16.62
Rot. Bonds5

About 9-anthracen-9-yl-3-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-2-yl)carbazole

9-anthracen-9-yl-3-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-2-yl)carbazole (PubChem CID 118405055) has the molecular formula C62H39N3 and a molecular weight of 826.02 g/mol. Its IUPAC name is 9-anthracen-9-yl-3-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-2-yl)carbazole.

Molecular Properties

Compound Name9-anthracen-9-yl-3-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-2-yl)carbazole
PubChem CID118405055
Molecular FormulaC62H39N3
Molecular Weight826.02 g/mol
Exact Mass825.31
IUPAC Name9-anthracen-9-yl-3-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-2-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc4n5-c4c5ccccc5cc5ccccc45)cc32)cc1
InChIInChI=1S/C62H39N3/c1-2-16-46(17-3-1)64-58-25-13-10-22-52(58)53-33-28-43(39-61(53)64)42-30-35-60-55(38-42)54-37-41(29-34-59(54)65(60)62-48-18-6-4-14-44(48)36-45-15-5-7-19-49(45)62)40-26-31-47(32-27-40)63-56-23-11-8-20-50(56)51-21-9-12-24-57(51)63/h1-39H
InChIKeyOCVJTCMZDOLTAS-UHFFFAOYSA-N
XLogP16.62
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.02
LogP ≤ 516.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-anthracen-9-yl-2-(9-anthracen-9-ylcarbazol-3-yl)carbazole;2-(9-anthracen-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-anthracen-9-ylcarbazol-2-yl)-9-phenylcarbazole
CID 157375241
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
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
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603
3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole
CID 118084392
9-phenyl-3-[4-[2-(3-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682010

Frequently Asked Questions

What is the IUPAC name of 9-anthracen-9-yl-3-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-2-yl)carbazole?
The IUPAC name of 9-anthracen-9-yl-3-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-2-yl)carbazole (CID 118405055) is 9-anthracen-9-yl-3-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-2-yl)carbazole.
What is the SMILES notation for 9-anthracen-9-yl-3-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-2-yl)carbazole?
The canonical SMILES for 9-anthracen-9-yl-3-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-2-yl)carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc4n5-c4c5ccccc5cc5ccccc45)cc32)cc1.
What is the InChIKey of 9-anthracen-9-yl-3-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-2-yl)carbazole?
The InChIKey is OCVJTCMZDOLTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3/c1-2-16-46(17-3-1)64-58-25-13-10-22-52(58)53-33-28-43(39-61(53)64)42-30-35-60-55(38-42)54-37-41(29-34-59(54)65(60)62-48-18-6-4-14-44(48)36-45-15-5-7-19-49(45)62)40-26-31-47(32-27-40)63-56-23-11-8-20-50(56)51-21-9-12-24-57(51)63/h1-39H.
What are the key properties of 9-anthracen-9-yl-3-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-2-yl)carbazole?
9-anthracen-9-yl-3-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-2-yl)carbazole has a molecular weight of 826.02 g/mol, XLogP of 16.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-anthracen-9-yl-3-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-2-yl)carbazole is sourced from PubChem (CID 118405055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).