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

C57H38N2 — CID 161384973

IUPAC1-[8-(9H-carbazol-1-yl)-10-(2,5-diphenylphenyl)anthracen-1-yl]-9-methylcarbazole
SMILESCn1c2ccccc2c2cccc(-c3cccc4c(-c5cc(-c6ccccc6)ccc5-c5ccccc5)c5cccc(-c6cccc7c6[nH]c6ccccc67)c5cc34)c21
InChIInChI=1S/C57H38N2/c1-59-54-31-11-9-21-43(54)49-29-15-28-48(57(49)59)41-23-13-25-45-51(41)35-50-40(46-26-14-27-47-42-20-8-10-30-53(42)58-56(46)47)22-12-24-44(50)55(45)52-34-38(36-16-4-2-5-17-36)32-33-39(52)37-18-6-3-7-19-37/h2-35,58H,1H3
InChIKeyLAKIPWXOAYSRDC-UHFFFAOYSA-N
MW750.95 g/mol
LogP15.61
Rot. Bonds5

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

1-[8-(9H-carbazol-1-yl)-10-(2,5-diphenylphenyl)anthracen-1-yl]-9-methylcarbazole (PubChem CID 161384973) has the molecular formula C57H38N2 and a molecular weight of 750.95 g/mol. Its IUPAC name is 1-[8-(9H-carbazol-1-yl)-10-(2,5-diphenylphenyl)anthracen-1-yl]-9-methylcarbazole.

Molecular Properties

Compound Name1-[8-(9H-carbazol-1-yl)-10-(2,5-diphenylphenyl)anthracen-1-yl]-9-methylcarbazole
PubChem CID161384973
Molecular FormulaC57H38N2
Molecular Weight750.95 g/mol
Exact Mass750.30
IUPAC Name1-[8-(9H-carbazol-1-yl)-10-(2,5-diphenylphenyl)anthracen-1-yl]-9-methylcarbazole
SMILESCn1c2ccccc2c2cccc(-c3cccc4c(-c5cc(-c6ccccc6)ccc5-c5ccccc5)c5cccc(-c6cccc7c6[nH]c6ccccc67)c5cc34)c21
InChIInChI=1S/C57H38N2/c1-59-54-31-11-9-21-43(54)49-29-15-28-48(57(49)59)41-23-13-25-45-51(41)35-50-40(46-26-14-27-47-42-20-8-10-30-53(42)58-56(46)47)22-12-24-44(50)55(45)52-34-38(36-16-4-2-5-17-36)32-33-39(52)37-18-6-3-7-19-37/h2-35,58H,1H3
InChIKeyLAKIPWXOAYSRDC-UHFFFAOYSA-N
XLogP15.61
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.95
LogP ≤ 515.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[8-(9H-carbazol-1-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-1-yl]-9-methylcarbazole
CID 176643859
4-[10-(2,5-diphenylphenyl)-8-(9-methylcarbazol-4-yl)anthracen-1-yl]-9-methylcarbazole
CID 155333749
1-[8-(9H-carbazol-1-yl)-10-spiro[benzo[c]fluorene-7,9'-fluorene]-6-ylanthracen-1-yl]-9-methylcarbazole
CID 176643891
1-(3,4-diphenylphenyl)-9H-carbazole
CID 141489388
1-[8-(9H-carbazol-1-yl)-10-naphthalen-2-ylanthracen-1-yl]-9-ethylcarbazole
CID 157396827
9-methyl-1-[8-(9-methylcarbazol-1-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole;9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole;9-methyl-3-[8-(9-methylcarbazol-3-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 162068917
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole
CID 155333527
2-(2,5-diphenylphenyl)-9H-carbazole
CID 177269985
12-[4-(3-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165620
12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165529
CID 174154038
CID 174154038

Frequently Asked Questions

What is the IUPAC name of 1-[8-(9H-carbazol-1-yl)-10-(2,5-diphenylphenyl)anthracen-1-yl]-9-methylcarbazole?
The IUPAC name of 1-[8-(9H-carbazol-1-yl)-10-(2,5-diphenylphenyl)anthracen-1-yl]-9-methylcarbazole (CID 161384973) is 1-[8-(9H-carbazol-1-yl)-10-(2,5-diphenylphenyl)anthracen-1-yl]-9-methylcarbazole.
What is the SMILES notation for 1-[8-(9H-carbazol-1-yl)-10-(2,5-diphenylphenyl)anthracen-1-yl]-9-methylcarbazole?
The canonical SMILES for 1-[8-(9H-carbazol-1-yl)-10-(2,5-diphenylphenyl)anthracen-1-yl]-9-methylcarbazole is Cn1c2ccccc2c2cccc(-c3cccc4c(-c5cc(-c6ccccc6)ccc5-c5ccccc5)c5cccc(-c6cccc7c6[nH]c6ccccc67)c5cc34)c21.
What is the InChIKey of 1-[8-(9H-carbazol-1-yl)-10-(2,5-diphenylphenyl)anthracen-1-yl]-9-methylcarbazole?
The InChIKey is LAKIPWXOAYSRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2/c1-59-54-31-11-9-21-43(54)49-29-15-28-48(57(49)59)41-23-13-25-45-51(41)35-50-40(46-26-14-27-47-42-20-8-10-30-53(42)58-56(46)47)22-12-24-44(50)55(45)52-34-38(36-16-4-2-5-17-36)32-33-39(52)37-18-6-3-7-19-37/h2-35,58H,1H3.
What are the key properties of 1-[8-(9H-carbazol-1-yl)-10-(2,5-diphenylphenyl)anthracen-1-yl]-9-methylcarbazole?
1-[8-(9H-carbazol-1-yl)-10-(2,5-diphenylphenyl)anthracen-1-yl]-9-methylcarbazole has a molecular weight of 750.95 g/mol, XLogP of 15.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(9H-carbazol-1-yl)-10-(2,5-diphenylphenyl)anthracen-1-yl]-9-methylcarbazole is sourced from PubChem (CID 161384973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).