10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-pyren-4-yl-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine

C226H160N6 — CID 158944353

About 10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-pyren-4-yl-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine

10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-pyren-4-yl-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine (PubChem CID 158944353) has the molecular formula C226H160N6 and a molecular weight of 2959.81 g/mol. Its IUPAC name is 10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-pyren-4-yl-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine.

Molecular Properties

• Compound Name: 10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-pyren-4-yl-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine
• PubChem CID: 158944353
• Molecular Formula: C226H160N6
• Molecular Weight: 2959.81 g/mol
• Exact Mass: 2957.27
• IUPAC Name: 10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-pyren-4-yl-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine
• SMILES: CN1c2ccccc2C(C)(C)c2c(-c3cccc4c(-c5cc6cccc7ccc8cccc5c8c76)c5cccc(-c6cccc7c6C(C)(C)c6ccccc6N7C)c5cc34)cccc21.CN1c2ccccc2C(c2ccccc2)(c2ccccc2)c2c(-c3cccc4c(-c5cc6cccc7ccc8cccc5c8c76)c5cccc(-c6cccc7c6C(c6ccccc6)(c6ccccc6)c6ccccc6N7C)c5cc34)cccc21.CN1c2ccccc2C(c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c(-c5cc6cccc7ccc8cccc5c8c76)c5cccc(-c6cccc7c6N(C)c6ccccc6C7(c6ccccc6)c6ccccc6)c5cc34)c21
• InChI: InChI=1S/2C82H56N2.C62H48N2/c1-83-74-47-17-15-43-70(74)81(56-28-7-3-8-29-56,57-30-9-4-10-31-57)72-45-23-41-65(79(72)83)60-36-21-39-62-67(60)52-68-61(37-22-40-63(68)78(62)69-51-55-27-19-25-53-49-50-54-26-20-38-64(69)77(54)76(53)55)66-42-24-46-73-80(66)84(2)75-48-18-16-44-71(75)82(73,58-32-11-5-12-33-58)59-34-13-6-14-35-59;1-83-72-45-17-15-43-70(72)81(56-28-7-3-8-29-56,57-30-9-4-10-31-57)79-65(41-23-47-74(79)83)60-36-21-39-62-67(60)52-68-61(37-22-40-63(68)78(62)69-51-55-27-19-25-53-49-50-54-26-20-38-64(69)77(54)76(53)55)66-42-24-48-75-80(66)82(58-32-11-5-12-33-58,59-34-13-6-14-35-59)71-44-16-18-46-73(71)84(75)2;1-61(2)50-27-7-9-29-52(50)63(5)54-31-15-25-45(59(54)61)40-20-13-23-42-47(40)36-48-41(46-26-16-32-55-60(46)62(3,4)51-28-8-10-30-53(51)64(55)6)21-14-24-43(48)58(42)49-35-39-19-11-17-37-33-34-38-18-12-22-44(49)57(38)56(37)39/h2*3-52H,1-2H3;7-36H,1-6H3
• InChIKey: JKQFKSOAESZFDK-UHFFFAOYSA-N
• XLogP: 58.34
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2959.81
LogP ≤ 5	58.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-pyren-4-yl-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine?

The IUPAC name of 10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-pyren-4-yl-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine (CID 158944353) is 10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-pyren-4-yl-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine.

What is the SMILES notation for 10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-pyren-4-yl-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine?

The canonical SMILES for 10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-pyren-4-yl-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine is CN1c2ccccc2C(C)(C)c2c(-c3cccc4c(-c5cc6cccc7ccc8cccc5c8c76)c5cccc(-c6cccc7c6C(C)(C)c6ccccc6N7C)c5cc34)cccc21.CN1c2ccccc2C(c2ccccc2)(c2ccccc2)c2c(-c3cccc4c(-c5cc6cccc7ccc8cccc5c8c76)c5cccc(-c6cccc7c6C(c6ccccc6)(c6ccccc6)c6ccccc6N7C)c5cc34)cccc21.CN1c2ccccc2C(c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c(-c5cc6cccc7ccc8cccc5c8c76)c5cccc(-c6cccc7c6N(C)c6ccccc6C7(c6ccccc6)c6ccccc6)c5cc34)c21.

What is the InChIKey of 10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-pyren-4-yl-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine?

The InChIKey is JKQFKSOAESZFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C82H56N2.C62H48N2/c1-83-74-47-17-15-43-70(74)81(56-28-7-3-8-29-56,57-30-9-4-10-31-57)72-45-23-41-65(79(72)83)60-36-21-39-62-67(60)52-68-61(37-22-40-63(68)78(62)69-51-55-27-19-25-53-49-50-54-26-20-38-64(69)77(54)76(53)55)66-42-24-46-73-80(66)84(2)75-48-18-16-44-71(75)82(73,58-32-11-5-12-33-58)59-34-13-6-14-35-59;1-83-72-45-17-15-43-70(72)81(56-28-7-3-8-29-56,57-30-9-4-10-31-57)79-65(41-23-47-74(79)83)60-36-21-39-62-67(60)52-68-61(37-22-40-63(68)78(62)69-51-55-27-19-25-53-49-50-54-26-20-38-64(69)77(54)76(53)55)66-42-24-48-75-80(66)82(58-32-11-5-12-33-58,59-34-13-6-14-35-59)71-44-16-18-46-73(71)84(75)2;1-61(2)50-27-7-9-29-52(50)63(5)54-31-15-25-45(59(54)61)40-20-13-23-42-47(40)36-48-41(46-26-16-32-55-60(46)62(3,4)51-28-8-10-30-53(51)64(55)6)21-14-24-43(48)58(42)49-35-39-19-11-17-37-33-34-38-18-12-22-44(49)57(38)56(37)39/h2*3-52H,1-2H3;7-36H,1-6H3.

What are the key properties of 10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-pyren-4-yl-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine?

10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-pyren-4-yl-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine has a molecular weight of 2959.81 g/mol, XLogP of 58.34, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-methyl-1-[8-(10-methyl-9,9-diphenylacridin-1-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;10-methyl-4-[8-(10-methyl-9,9-diphenylacridin-4-yl)-10-pyren-4-ylanthracen-1-yl]-9,9-diphenylacridine;9,9,10-trimethyl-1-[10-pyren-4-yl-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine is sourced from PubChem (CID 158944353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).