10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine

C80H60N2 — CID 59219909

IUPAC10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4c(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3c2)c2ccccc21
InChIInChI=1S/C80H60N2/c1-79(2)69-29-11-15-33-73(69)81(74-34-16-12-30-70(74)79)63-45-47-65-67(51-63)77(61-27-19-25-59(49-61)57-41-37-55(38-42-57)53-21-7-5-8-22-53)66-48-46-64(82-75-35-17-13-31-71(75)80(3,4)72-32-14-18-36-76(72)82)52-68(66)78(65)62-28-20-26-60(50-62)58-43-39-56(40-44-58)54-23-9-6-10-24-54/h5-52H,1-4H3
InChIKeyZMPKLNASPUOLSL-UHFFFAOYSA-N
MW1049.37 g/mol
LogP22.21
Rot. Bonds8

About 10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine

10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine (PubChem CID 59219909) has the molecular formula C80H60N2 and a molecular weight of 1049.37 g/mol. Its IUPAC name is 10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine
PubChem CID59219909
Molecular FormulaC80H60N2
Molecular Weight1049.37 g/mol
Exact Mass1048.48
IUPAC Name10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4c(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3c2)c2ccccc21
InChIInChI=1S/C80H60N2/c1-79(2)69-29-11-15-33-73(69)81(74-34-16-12-30-70(74)79)63-45-47-65-67(51-63)77(61-27-19-25-59(49-61)57-41-37-55(38-42-57)53-21-7-5-8-22-53)66-48-46-64(82-75-35-17-13-31-71(75)80(3,4)72-32-14-18-36-76(72)82)52-68(66)78(65)62-28-20-26-60(50-62)58-43-39-56(40-44-58)54-23-9-6-10-24-54/h5-52H,1-4H3
InChIKeyZMPKLNASPUOLSL-UHFFFAOYSA-N
XLogP22.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.37
LogP ≤ 522.21
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

10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine
CID 59219732
10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine
CID 59219699
10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine
CID 59220894
10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine
CID 59399549
10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59196351
10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59195849
10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine
CID 59220754
10-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220074
11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 59219558
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]phenazine
CID 59220088
5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine
CID 59220288
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603

Frequently Asked Questions

What is the IUPAC name of 10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine (CID 59219909) is 10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc3c(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4c(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)c3c2)c2ccccc21.
What is the InChIKey of 10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine?
The InChIKey is ZMPKLNASPUOLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H60N2/c1-79(2)69-29-11-15-33-73(69)81(74-34-16-12-30-70(74)79)63-45-47-65-67(51-63)77(61-27-19-25-59(49-61)57-41-37-55(38-42-57)53-21-7-5-8-22-53)66-48-46-64(82-75-35-17-13-31-71(75)80(3,4)72-32-14-18-36-76(72)82)52-68(66)78(65)62-28-20-26-60(50-62)58-43-39-56(40-44-58)54-23-9-6-10-24-54/h5-52H,1-4H3.
What are the key properties of 10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine?
10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine has a molecular weight of 1049.37 g/mol, XLogP of 22.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine is sourced from PubChem (CID 59219909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).