10-ethyl-1-[8-(10-ethyl-9,9-diphenylacridin-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-9,9-diphenylacridine

C80H60N2 — CID 155334416

IUPAC10-ethyl-1-[8-(10-ethyl-9,9-diphenylacridin-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-9,9-diphenylacridine
SMILESCCN1c2ccccc2C(c2ccccc2)(c2ccccc2)c2c(-c3cccc4c(-c5ccc(-c6ccccc6)cc5)c5cccc(-c6cccc7c6C(c6ccccc6)(c6ccccc6)c6ccccc6N7CC)c5cc34)cccc21
InChIInChI=1S/C80H60N2/c1-3-81-72-46-22-20-44-70(72)79(58-30-12-6-13-31-58,59-32-14-7-15-33-59)77-66(42-26-48-74(77)81)62-38-24-40-64-68(62)54-69-63(39-25-41-65(69)76(64)57-52-50-56(51-53-57)55-28-10-5-11-29-55)67-43-27-49-75-78(67)80(60-34-16-8-17-35-60,61-36-18-9-19-37-61)71-45-21-23-47-73(71)82(75)4-2/h5-54H,3-4H2,1-2H3
InChIKeyFQOVJMNWWWEIBA-UHFFFAOYSA-N
MW1049.37 g/mol
LogP20.37
Rot. Bonds10

About 10-ethyl-1-[8-(10-ethyl-9,9-diphenylacridin-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-9,9-diphenylacridine

10-ethyl-1-[8-(10-ethyl-9,9-diphenylacridin-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-9,9-diphenylacridine (PubChem CID 155334416) has the molecular formula C80H60N2 and a molecular weight of 1049.37 g/mol. Its IUPAC name is 10-ethyl-1-[8-(10-ethyl-9,9-diphenylacridin-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-9,9-diphenylacridine.

Molecular Properties

Compound Name10-ethyl-1-[8-(10-ethyl-9,9-diphenylacridin-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-9,9-diphenylacridine
PubChem CID155334416
Molecular FormulaC80H60N2
Molecular Weight1049.37 g/mol
Exact Mass1048.48
IUPAC Name10-ethyl-1-[8-(10-ethyl-9,9-diphenylacridin-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-9,9-diphenylacridine
SMILESCCN1c2ccccc2C(c2ccccc2)(c2ccccc2)c2c(-c3cccc4c(-c5ccc(-c6ccccc6)cc5)c5cccc(-c6cccc7c6C(c6ccccc6)(c6ccccc6)c6ccccc6N7CC)c5cc34)cccc21
InChIInChI=1S/C80H60N2/c1-3-81-72-46-22-20-44-70(72)79(58-30-12-6-13-31-58,59-32-14-7-15-33-59)77-66(42-26-48-74(77)81)62-38-24-40-64-68(62)54-69-63(39-25-41-65(69)76(64)57-52-50-56(51-53-57)55-28-10-5-11-29-55)67-43-27-49-75-78(67)80(60-34-16-8-17-35-60,61-36-18-9-19-37-61)71-45-21-23-47-73(71)82(75)4-2/h5-54H,3-4H2,1-2H3
InChIKeyFQOVJMNWWWEIBA-UHFFFAOYSA-N
XLogP20.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.37
LogP ≤ 520.37
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

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-1-[8-(10-ethyl-9,9-diphenylacridin-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-9,9-diphenylacridine?
The IUPAC name of 10-ethyl-1-[8-(10-ethyl-9,9-diphenylacridin-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-9,9-diphenylacridine (CID 155334416) is 10-ethyl-1-[8-(10-ethyl-9,9-diphenylacridin-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-9,9-diphenylacridine.
What is the SMILES notation for 10-ethyl-1-[8-(10-ethyl-9,9-diphenylacridin-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-9,9-diphenylacridine?
The canonical SMILES for 10-ethyl-1-[8-(10-ethyl-9,9-diphenylacridin-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-9,9-diphenylacridine is CCN1c2ccccc2C(c2ccccc2)(c2ccccc2)c2c(-c3cccc4c(-c5ccc(-c6ccccc6)cc5)c5cccc(-c6cccc7c6C(c6ccccc6)(c6ccccc6)c6ccccc6N7CC)c5cc34)cccc21.
What is the InChIKey of 10-ethyl-1-[8-(10-ethyl-9,9-diphenylacridin-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-9,9-diphenylacridine?
The InChIKey is FQOVJMNWWWEIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H60N2/c1-3-81-72-46-22-20-44-70(72)79(58-30-12-6-13-31-58,59-32-14-7-15-33-59)77-66(42-26-48-74(77)81)62-38-24-40-64-68(62)54-69-63(39-25-41-65(69)76(64)57-52-50-56(51-53-57)55-28-10-5-11-29-55)67-43-27-49-75-78(67)80(60-34-16-8-17-35-60,61-36-18-9-19-37-61)71-45-21-23-47-73(71)82(75)4-2/h5-54H,3-4H2,1-2H3.
What are the key properties of 10-ethyl-1-[8-(10-ethyl-9,9-diphenylacridin-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-9,9-diphenylacridine?
10-ethyl-1-[8-(10-ethyl-9,9-diphenylacridin-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-9,9-diphenylacridine has a molecular weight of 1049.37 g/mol, XLogP of 20.37, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-1-[8-(10-ethyl-9,9-diphenylacridin-1-yl)-10-(4-phenylphenyl)anthracen-1-yl]-9,9-diphenylacridine is sourced from PubChem (CID 155334416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).