10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine

C70H52N2 — CID 59219699

IUPAC10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(-c4cccc5ccccc45)c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4c(-c4cccc(-c5cccc6ccccc56)c4)c3c2)c2ccccc21
InChIInChI=1S/C70H52N2/c1-69(2)59-30-9-13-34-63(59)71(64-35-14-10-31-60(64)69)49-39-41-56-57(43-49)67(48-25-17-24-47(42-48)53-28-18-22-45-20-5-7-26-51(45)53)55-40-38-50(44-58(55)68(56)54-29-19-23-46-21-6-8-27-52(46)54)72-65-36-15-11-32-61(65)70(3,4)62-33-12-16-37-66(62)72/h5-44H,1-4H3
InChIKeyHYFBOXKHPGRMAW-UHFFFAOYSA-N
MW921.20 g/mol
LogP19.52
Rot. Bonds5

About 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine

10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine (PubChem CID 59219699) has the molecular formula C70H52N2 and a molecular weight of 921.20 g/mol. Its IUPAC name is 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine
PubChem CID59219699
Molecular FormulaC70H52N2
Molecular Weight921.20 g/mol
Exact Mass920.41
IUPAC Name10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(-c4cccc5ccccc45)c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4c(-c4cccc(-c5cccc6ccccc56)c4)c3c2)c2ccccc21
InChIInChI=1S/C70H52N2/c1-69(2)59-30-9-13-34-63(59)71(64-35-14-10-31-60(64)69)49-39-41-56-57(43-49)67(48-25-17-24-47(42-48)53-28-18-22-45-20-5-7-26-51(45)53)55-40-38-50(44-58(55)68(56)54-29-19-23-46-21-6-8-27-52(46)54)72-65-36-15-11-32-61(65)70(3,4)62-33-12-16-37-66(62)72/h5-44H,1-4H3
InChIKeyHYFBOXKHPGRMAW-UHFFFAOYSA-N
XLogP19.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.20
LogP ≤ 519.52
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-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220074
10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine
CID 59219909
11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 59220351
5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine
CID 59220680
10-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-[2,4,4-trimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]anthracen-2-yl]-9,9-dimethylacridine
CID 88999964
10-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)-6-(9,9-dimethylacridin-10-yl)-10-naphthalen-1-ylanthracen-2-yl]-9,9-dimethylacridine
CID 89111379
10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-2-yl-10-perylen-3-ylanthracen-2-yl]-9,9-dimethylacridine
CID 59220754
10-[6-(9,9-dimethylacridin-10-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-9,9-dimethylacridine
CID 59219732
5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenazine
CID 59219916
10-[9-(9,9-dimethylfluoren-2-yl)-10-(2-naphthalen-1-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59219822
9,9-dimethyl-10-(4-naphthalen-1-yl-2-phenylquinazolin-7-yl)acridine
CID 130396291
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220514

Frequently Asked Questions

What is the IUPAC name of 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine (CID 59219699) is 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc3c(-c4cccc5ccccc45)c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4c(-c4cccc(-c5cccc6ccccc56)c4)c3c2)c2ccccc21.
What is the InChIKey of 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine?
The InChIKey is HYFBOXKHPGRMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H52N2/c1-69(2)59-30-9-13-34-63(59)71(64-35-14-10-31-60(64)69)49-39-41-56-57(43-49)67(48-25-17-24-47(42-48)53-28-18-22-45-20-5-7-26-51(45)53)55-40-38-50(44-58(55)68(56)54-29-19-23-46-21-6-8-27-52(46)54)72-65-36-15-11-32-61(65)70(3,4)62-33-12-16-37-66(62)72/h5-44H,1-4H3.
What are the key properties of 10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine?
10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine has a molecular weight of 921.20 g/mol, XLogP of 19.52, 5 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-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine is sourced from PubChem (CID 59219699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).