2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole

C68H48N2 — CID 155334274

IUPAC2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2ccc(-c3cccc4c(-c5c6cccc(-c7ccccc7)c6cc6c(-c7ccccc7)cccc56)c5cccc(-c6ccc7c8ccccc8n(CC)c7c6)c5cc34)cc21
InChIInChI=1S/C68H48N2/c1-3-69-63-33-13-11-23-51(63)53-37-35-45(39-65(53)69)49-27-17-31-57-61(49)42-62-50(46-36-38-54-52-24-12-14-34-64(52)70(4-2)66(54)40-46)28-18-32-58(62)68(57)67-55-29-15-25-47(43-19-7-5-8-20-43)59(55)41-60-48(26-16-30-56(60)67)44-21-9-6-10-22-44/h5-42H,3-4H2,1-2H3
InChIKeyUTNPHUYSNLBZMO-UHFFFAOYSA-N
MW893.15 g/mol
LogP18.89
Rot. Bonds7

About 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole

2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole (PubChem CID 155334274) has the molecular formula C68H48N2 and a molecular weight of 893.15 g/mol. Its IUPAC name is 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole.

Molecular Properties

Compound Name2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole
PubChem CID155334274
Molecular FormulaC68H48N2
Molecular Weight893.15 g/mol
Exact Mass892.38
IUPAC Name2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2ccc(-c3cccc4c(-c5c6cccc(-c7ccccc7)c6cc6c(-c7ccccc7)cccc56)c5cccc(-c6ccc7c8ccccc8n(CC)c7c6)c5cc34)cc21
InChIInChI=1S/C68H48N2/c1-3-69-63-33-13-11-23-51(63)53-37-35-45(39-65(53)69)49-27-17-31-57-61(49)42-62-50(46-36-38-54-52-24-12-14-34-64(52)70(4-2)66(54)40-46)28-18-32-58(62)68(57)67-55-29-15-25-47(43-19-7-5-8-20-43)59(55)41-60-48(26-16-30-56(60)67)44-21-9-6-10-22-44/h5-42H,3-4H2,1-2H3
InChIKeyUTNPHUYSNLBZMO-UHFFFAOYSA-N
XLogP18.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.15
LogP ≤ 518.89
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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Frequently Asked Questions

What is the IUPAC name of 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole?
The IUPAC name of 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole (CID 155334274) is 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole.
What is the SMILES notation for 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole?
The canonical SMILES for 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole is CCn1c2ccccc2c2ccc(-c3cccc4c(-c5c6cccc(-c7ccccc7)c6cc6c(-c7ccccc7)cccc56)c5cccc(-c6ccc7c8ccccc8n(CC)c7c6)c5cc34)cc21.
What is the InChIKey of 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole?
The InChIKey is UTNPHUYSNLBZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2/c1-3-69-63-33-13-11-23-51(63)53-37-35-45(39-65(53)69)49-27-17-31-57-61(49)42-62-50(46-36-38-54-52-24-12-14-34-64(52)70(4-2)66(54)40-46)28-18-32-58(62)68(57)67-55-29-15-25-47(43-19-7-5-8-20-43)59(55)41-60-48(26-16-30-56(60)67)44-21-9-6-10-22-44/h5-42H,3-4H2,1-2H3.
What are the key properties of 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole?
2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole has a molecular weight of 893.15 g/mol, XLogP of 18.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole is sourced from PubChem (CID 155334274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).