4-[10-(2,5-diphenylphenyl)-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole

C58H40N2 — CID 155333749

IUPAC4-[10-(2,5-diphenylphenyl)-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole
SMILESCn1c2ccccc2c2c(-c3cccc4c(-c5cc(-c6ccccc6)ccc5-c5ccccc5)c5cccc(-c6cccc7c6c6ccccc6n7C)c5cc34)cccc21
InChIInChI=1S/C58H40N2/c1-59-52-29-11-9-21-47(52)57-43(27-15-31-54(57)59)41-23-13-25-45-49(41)36-50-42(44-28-16-32-55-58(44)48-22-10-12-30-53(48)60(55)2)24-14-26-46(50)56(45)51-35-39(37-17-5-3-6-18-37)33-34-40(51)38-19-7-4-8-20-38/h3-36H,1-2H3
InChIKeyOJNUOLBWYQGDHN-UHFFFAOYSA-N
MW764.97 g/mol
LogP15.62
Rot. Bonds5

About 4-[10-(2,5-diphenylphenyl)-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole

4-[10-(2,5-diphenylphenyl)-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole (PubChem CID 155333749) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 4-[10-(2,5-diphenylphenyl)-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole.

Molecular Properties

Compound Name4-[10-(2,5-diphenylphenyl)-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole
PubChem CID155333749
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name4-[10-(2,5-diphenylphenyl)-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole
SMILESCn1c2ccccc2c2c(-c3cccc4c(-c5cc(-c6ccccc6)ccc5-c5ccccc5)c5cccc(-c6cccc7c6c6ccccc6n7C)c5cc34)cccc21
InChIInChI=1S/C58H40N2/c1-59-52-29-11-9-21-47(52)57-43(27-15-31-54(57)59)41-23-13-25-45-49(41)36-50-42(44-28-16-32-55-58(44)48-22-10-12-30-53(48)60(55)2)24-14-26-46(50)56(45)51-35-39(37-17-5-3-6-18-37)33-34-40(51)38-19-7-4-8-20-38/h3-36H,1-2H3
InChIKeyOJNUOLBWYQGDHN-UHFFFAOYSA-N
XLogP15.62
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155334200
1-[8-(9H-carbazol-1-yl)-10-(2,5-diphenylphenyl)anthracen-1-yl]-9-methylcarbazole
CID 161384973
9-methyl-2-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[2-(9-methylcarbazol-4-yl)phenyl]carbazole;9-methyl-3-[2-[2-(9-methylcarbazol-3-yl)phenyl]phenyl]carbazole;1-methyl-4-phenylbenzene;toluene
CID 157291813
9-methyl-2-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;9-methyl-3-(9-methylcarbazol-4-yl)carbazole;9-methyl-4-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[4-(9-methylcarbazol-3-yl)phenyl]carbazole
CID 158517648
9-methyl-2-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;9-methyl-3-(9-methylcarbazol-4-yl)carbazole;9-methyl-4-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-[4-(9-methylcarbazol-3-yl)phenyl]carbazole
CID 159041111
9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(3-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333252
9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole
CID 155333886
9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole
CID 155334824
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333918
11-[10-(2,5-diphenylphenyl)anthracen-9-yl]benzo[a]anthracene
CID 123226624
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349

Frequently Asked Questions

What is the IUPAC name of 4-[10-(2,5-diphenylphenyl)-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole?
The IUPAC name of 4-[10-(2,5-diphenylphenyl)-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole (CID 155333749) is 4-[10-(2,5-diphenylphenyl)-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole.
What is the SMILES notation for 4-[10-(2,5-diphenylphenyl)-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole?
The canonical SMILES for 4-[10-(2,5-diphenylphenyl)-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole is Cn1c2ccccc2c2c(-c3cccc4c(-c5cc(-c6ccccc6)ccc5-c5ccccc5)c5cccc(-c6cccc7c6c6ccccc6n7C)c5cc34)cccc21.
What is the InChIKey of 4-[10-(2,5-diphenylphenyl)-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole?
The InChIKey is OJNUOLBWYQGDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-59-52-29-11-9-21-47(52)57-43(27-15-31-54(57)59)41-23-13-25-45-49(41)36-50-42(44-28-16-32-55-58(44)48-22-10-12-30-53(48)60(55)2)24-14-26-46(50)56(45)51-35-39(37-17-5-3-6-18-37)33-34-40(51)38-19-7-4-8-20-38/h3-36H,1-2H3.
What are the key properties of 4-[10-(2,5-diphenylphenyl)-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole?
4-[10-(2,5-diphenylphenyl)-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole has a molecular weight of 764.97 g/mol, XLogP of 15.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(2,5-diphenylphenyl)-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole is sourced from PubChem (CID 155333749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).